2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile

C15H17N5 — CID 43292087

IUPAC2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H17N5/c16-11-13-9-5-2-6-10-14(13)20-18-15(17-19-20)12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-10H2
InChIKeyLKIJKCXGIZRDAX-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.99
Rot. Bonds2

About 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile

2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile (PubChem CID 43292087) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile
PubChem CID43292087
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H17N5/c16-11-13-9-5-2-6-10-14(13)20-18-15(17-19-20)12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-10H2
InChIKeyLKIJKCXGIZRDAX-UHFFFAOYSA-N
XLogP2.99
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-(5-phenyltetrazol-2-yl)cyclohexyl]-1-[6-[[(1S,2S)-2-(5-phenyltetrazol-2-yl)cyclohexyl]iminomethyl]-2-pyridinyl]methanimine
CID 11614031
2-phenylcycloheptane-1-carbonitrile
CID 82241213
2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
CID 43291742
1-(2-cyanocycloheptyl)-1,2,4-triazole-3-carbonitrile
CID 62951230
4-[5-(4-phenylphenyl)tetrazol-2-yl]butanenitrile
CID 10755867
2-methyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]cyclohexan-1-amine
CID 62563466
2-benzylsulfanylcyclohexane-1-carbonitrile
CID 43292997
2-anilinocycloheptane-1-carbonitrile
CID 62741640
2-[2-(5-phenyltetrazol-2-yl)ethyl]cyclopentan-1-one
CID 79570449
N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine
CID 56550368
2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole
CID 175641941
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 26571918

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile (CID 43292087) is 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile is N#CC1CCCCCC1n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile?
The InChIKey is LKIJKCXGIZRDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-11-13-9-5-2-6-10-14(13)20-18-15(17-19-20)12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-10H2.
What are the key properties of 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile?
2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 43292087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).