KHW

[(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane

Created:	2019-05-22
Last modified:	2020-07-08

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1 entries where KHW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	11

2D diagram of KHW

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Chemical Component Summary
Name	[(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane
Systematic Name (OpenEye OEToolkits)	[(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane
Formula	C₁₂ H₁₈ N₆
Molecular Weight	246.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC[CH](NN)c1nnnn1Cc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CCCC(c1nnnn1Cc2ccccc2)NN
Canonical SMILES	CACTVS	3.385	CCC[C@@H](NN)c1nnnn1Cc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC[C@H](c1nnnn1Cc2ccccc2)NN
InChI	InChI	1.03	InChI=1S/C12H18N6/c1-2-6-11(14-13)12-15-16-17-18(12)9-10-7-4-3-5-8-10/h3-5,7-8,11,14H,2,6,9,13H2,1H3/t11-/m1/s1
InChIKey	InChI	1.03	RXFMIKHNJVMPGC-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
PubChem	146673495

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.