1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile

C13H11N5 — CID 114015841

IUPAC1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile
SMILESCn1cc(Cn2ccc3c(C#N)cccc32)nn1
InChIInChI=1S/C13H11N5/c1-17-8-11(15-16-17)9-18-6-5-12-10(7-14)3-2-4-13(12)18/h2-6,8H,9H2,1H3
InChIKeyWHIJGFQTMANZQY-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.69
Rot. Bonds2

About 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile

1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile (PubChem CID 114015841) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile
PubChem CID114015841
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile
SMILESCn1cc(Cn2ccc3c(C#N)cccc32)nn1
InChIInChI=1S/C13H11N5/c1-17-8-11(15-16-17)9-18-6-5-12-10(7-14)3-2-4-13(12)18/h2-6,8H,9H2,1H3
InChIKeyWHIJGFQTMANZQY-UHFFFAOYSA-N
XLogP1.69
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-1H-indole-3-carbonitrile
CID 2307681
3-(4-Pyridin-2-yltriazol-1-yl)benzonitrile
CID 10236196
N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 10333305
1-methyl-2-pyridin-3-yl-1H-indole-3-carbonitrile
CID 58215779
Irak4-IN-9
CID 163408788
2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile
CID 683191
2-(1-methyl-1H-indol-3-yl)acetonitrile
CID 10654720
Mbq-167
CID 129896932
9-[[1-(Pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole
CID 155537853
2-[[1-(3-Propan-2-ylphenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756431
US10085984, Example 135
CID 135186306
1-Methyl-1H-indole-4-carbonitrile
CID 22391592

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile?
The IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile (CID 114015841) is 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile?
The canonical SMILES for 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile is Cn1cc(Cn2ccc3c(C#N)cccc32)nn1.
What is the InChIKey of 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile?
The InChIKey is WHIJGFQTMANZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-17-8-11(15-16-17)9-18-6-5-12-10(7-14)3-2-4-13(12)18/h2-6,8H,9H2,1H3.
What are the key properties of 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile?
1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile has a molecular weight of 237.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile is sourced from PubChem (CID 114015841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).