5-benzyltetrazole-2-carbonitrile

C9H7N5 — CID 69031421

IUPAC5-benzyltetrazole-2-carbonitrile
SMILESN#Cn1nnc(Cc2ccccc2)n1
InChIInChI=1S/C9H7N5/c10-7-14-12-9(11-13-14)6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKeyMNWNOGLECZYHHO-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.59
Rot. Bonds2

About 5-benzyltetrazole-2-carbonitrile

5-benzyltetrazole-2-carbonitrile (PubChem CID 69031421) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-benzyltetrazole-2-carbonitrile.

Molecular Properties

Compound Name5-benzyltetrazole-2-carbonitrile
PubChem CID69031421
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name5-benzyltetrazole-2-carbonitrile
SMILESN#Cn1nnc(Cc2ccccc2)n1
InChIInChI=1S/C9H7N5/c10-7-14-12-9(11-13-14)6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKeyMNWNOGLECZYHHO-UHFFFAOYSA-N
XLogP0.59
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-benzyltetrazol-2-yl)methanol
CID 13081003
5-benzyl-2-(1-phenylethyl)tetrazole
CID 143087598
benzylbenzene;thiocyanic acid
CID 172833701
2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole
CID 68649972
2-benzylpyrimidine
CID 13143744
1,5-dibenzyltriazole-4-carbonitrile
CID 82203072
phenyl(113C)methylbenzene
CID 11194569
4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one
CID 155960924
3-[2-(5-benzyltetrazol-2-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 167755070
N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide
CID 24795576
[4-[(2-methyltetrazol-5-yl)methyl]phenyl]methanol
CID 171470235
5-benzyl-1-(cyanomethyl)triazole-4-carboxylic acid
CID 82206336

Frequently Asked Questions

What is the IUPAC name of 5-benzyltetrazole-2-carbonitrile?
The IUPAC name of 5-benzyltetrazole-2-carbonitrile (CID 69031421) is 5-benzyltetrazole-2-carbonitrile.
What is the SMILES notation for 5-benzyltetrazole-2-carbonitrile?
The canonical SMILES for 5-benzyltetrazole-2-carbonitrile is N#Cn1nnc(Cc2ccccc2)n1.
What is the InChIKey of 5-benzyltetrazole-2-carbonitrile?
The InChIKey is MNWNOGLECZYHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c10-7-14-12-9(11-13-14)6-8-4-2-1-3-5-8/h1-5H,6H2.
What are the key properties of 5-benzyltetrazole-2-carbonitrile?
5-benzyltetrazole-2-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyltetrazole-2-carbonitrile is sourced from PubChem (CID 69031421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).