1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile

C12H10N6 — CID 107919149

IUPAC1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile
SMILESCn1nnc(Cn2ccc3c(C#N)cccc32)n1
InChIInChI=1S/C12H10N6/c1-17-15-12(14-16-17)8-18-6-5-10-9(7-13)3-2-4-11(10)18/h2-6H,8H2,1H3
InChIKeyAZJJKIWATWLLRA-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.08
Rot. Bonds2

About 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile

1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile (PubChem CID 107919149) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile
PubChem CID107919149
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile
SMILESCn1nnc(Cn2ccc3c(C#N)cccc32)n1
InChIInChI=1S/C12H10N6/c1-17-15-12(14-16-17)8-18-6-5-10-9(7-13)3-2-4-11(10)18/h2-6H,8H2,1H3
InChIKeyAZJJKIWATWLLRA-UHFFFAOYSA-N
XLogP1.08
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-pyridin-2-yl-2H-tetrazol-2-yl)benzonitrile
CID 10198811
1-Methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole
CID 11703148
N-[(1-benzyl-1H-indol-3-yl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858802
1-methyl-2-(2-p-tolyl-2H-tetrazol-5-yl)-1H-indole
CID 16066509
1-Methyl-4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)indole
CID 44448543
N-[(E)-(1,2-dimethyl-1H-indol-3-yl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5730296
1-Methyl-1H-indole-4-carbonitrile
CID 22391592
N-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-4H-1,2,4-triazol-4-amine
CID 6858841
3-[2-[(4-Fluorophenyl)methyl]tetrazol-5-yl]-1-[(4-methylphenyl)methyl]indole
CID 172463187
1-Benzyl-3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]indole
CID 172466653
1-benzyl-3-(2H-tetrazol-5-yl)indole
CID 23366817
1-Benzyl-3-(2-benzyltetrazol-5-yl)indole
CID 23366847

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile (CID 107919149) is 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile is Cn1nnc(Cn2ccc3c(C#N)cccc32)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile?
The InChIKey is AZJJKIWATWLLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c1-17-15-12(14-16-17)8-18-6-5-10-9(7-13)3-2-4-11(10)18/h2-6H,8H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile?
1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile is sourced from PubChem (CID 107919149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).