2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile

C8H11N5 — CID 54328238

IUPAC2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile
SMILESCn1nnc(C2CCCC2C#N)n1
InChIInChI=1S/C8H11N5/c1-13-11-8(10-12-13)7-4-2-3-6(7)5-9/h6-7H,2-4H2,1H3
InChIKeySWMGMVKCSVEQRC-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.62
Rot. Bonds1

About 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile

2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile (PubChem CID 54328238) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile
PubChem CID54328238
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile
SMILESCn1nnc(C2CCCC2C#N)n1
InChIInChI=1S/C8H11N5/c1-13-11-8(10-12-13)7-4-2-3-6(7)5-9/h6-7H,2-4H2,1H3
InChIKeySWMGMVKCSVEQRC-UHFFFAOYSA-N
XLogP0.62
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile (CID 54328238) is 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile is Cn1nnc(C2CCCC2C#N)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile?
The InChIKey is SWMGMVKCSVEQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-13-11-8(10-12-13)7-4-2-3-6(7)5-9/h6-7H,2-4H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile?
2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 54328238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).