[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine

C16H16N4 — CID 114689803

IUPAC[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
SMILESCc1cc(CN)ccc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C16H16N4/c1-12-9-13(10-17)7-8-15(12)16-11-18-19-20(16)14-5-3-2-4-6-14/h2-9,11H,10,17H2,1H3
InChIKeyCDHPRBATIOSEEZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.70
Rot. Bonds3

About [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine

[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine (PubChem CID 114689803) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
PubChem CID114689803
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
SMILESCc1cc(CN)ccc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C16H16N4/c1-12-9-13(10-17)7-8-15(12)16-11-18-19-20(16)14-5-3-2-4-6-14/h2-9,11H,10,17H2,1H3
InChIKeyCDHPRBATIOSEEZ-UHFFFAOYSA-N
XLogP2.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689604
2-methyl-4-(3-phenyltriazol-4-yl)aniline
CID 114689600
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689828
2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
CID 107616039
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524
1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
CID 114689809
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
3-chloro-4-(3-phenyltriazol-4-yl)benzoic acid
CID 114689478
4-chloro-2-(3-phenyltriazol-4-yl)benzoic acid
CID 107989897
1-phenyl-5-thiophen-2-yltriazole
CID 121010770

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine (CID 114689803) is [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine is Cc1cc(CN)ccc1-c1cnnn1-c1ccccc1.
What is the InChIKey of [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine?
The InChIKey is CDHPRBATIOSEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-9-13(10-17)7-8-15(12)16-11-18-19-20(16)14-5-3-2-4-6-14/h2-9,11H,10,17H2,1H3.
What are the key properties of [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine?
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 114689803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).