2-(2-benzyltetrazol-5-yl)propanenitrile

C11H11N5 — CID 84782732

IUPAC2-(2-benzyltetrazol-5-yl)propanenitrile
SMILESCC(C#N)c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C11H11N5/c1-9(7-12)11-13-15-16(14-11)8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3
InChIKeyUQGMIXKWWNEJAK-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.35
Rot. Bonds3

About 2-(2-benzyltetrazol-5-yl)propanenitrile

2-(2-benzyltetrazol-5-yl)propanenitrile (PubChem CID 84782732) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(2-benzyltetrazol-5-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-benzyltetrazol-5-yl)propanenitrile
PubChem CID84782732
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name2-(2-benzyltetrazol-5-yl)propanenitrile
SMILESCC(C#N)c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C11H11N5/c1-9(7-12)11-13-15-16(14-11)8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3
InChIKeyUQGMIXKWWNEJAK-UHFFFAOYSA-N
XLogP1.35
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
CID 11268940
2-amino-1-(2-benzyltetrazol-5-yl)ethanol
CID 84786669
2-benzyl-5-ethynyltetrazole
CID 146155453
2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one
CID 84794327
2-(2-benzyltetrazol-5-yl)-2-cyclopentylacetic acid
CID 67232299
2-benzyl-5-(2,2-dimethylpropyl)tetrazole
CID 69033394
(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile
CID 8684817
4-[(5-methyltetrazol-2-yl)methyl]benzonitrile
CID 142243582
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
CID 3228152
(3S,4R)-3-amino-1-(2-benzyltetrazol-5-yl)-4-methylazetidin-2-one
CID 130757058

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyltetrazol-5-yl)propanenitrile?
The IUPAC name of 2-(2-benzyltetrazol-5-yl)propanenitrile (CID 84782732) is 2-(2-benzyltetrazol-5-yl)propanenitrile.
What is the SMILES notation for 2-(2-benzyltetrazol-5-yl)propanenitrile?
The canonical SMILES for 2-(2-benzyltetrazol-5-yl)propanenitrile is CC(C#N)c1nnn(Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzyltetrazol-5-yl)propanenitrile?
The InChIKey is UQGMIXKWWNEJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-9(7-12)11-13-15-16(14-11)8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3.
What are the key properties of 2-(2-benzyltetrazol-5-yl)propanenitrile?
2-(2-benzyltetrazol-5-yl)propanenitrile has a molecular weight of 213.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyltetrazol-5-yl)propanenitrile is sourced from PubChem (CID 84782732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).