3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline

C15H14N4 — CID 62721289

IUPAC3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
SMILESCn1nc(-c2ccccc2)nc1-c1cccc(N)c1
InChIInChI=1S/C15H14N4/c1-19-15(12-8-5-9-13(16)10-12)17-14(18-19)11-6-3-2-4-7-11/h2-10H,16H2,1H3
InChIKeyYDLRBPVJECJDMY-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.73
Rot. Bonds2

About 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline

3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline (PubChem CID 62721289) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
PubChem CID62721289
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
SMILESCn1nc(-c2ccccc2)nc1-c1cccc(N)c1
InChIInChI=1S/C15H14N4/c1-19-15(12-8-5-9-13(16)10-12)17-14(18-19)11-6-3-2-4-7-11/h2-10H,16H2,1H3
InChIKeyYDLRBPVJECJDMY-UHFFFAOYSA-N
XLogP2.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62733002
2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62947082
6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 114287525
3-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline
CID 157017173
5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
CID 59252470
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline
CID 170034814
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
2-(3-aminophenyl)benzimidazol-1-amine
CID 83430363
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62733376
3-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 4605444
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566376
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64672697

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline (CID 62721289) is 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline is Cn1nc(-c2ccccc2)nc1-c1cccc(N)c1.
What is the InChIKey of 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is YDLRBPVJECJDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-19-15(12-8-5-9-13(16)10-12)17-14(18-19)11-6-3-2-4-7-11/h2-10H,16H2,1H3.
What are the key properties of 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline?
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 250.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 62721289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).