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

C13H18N4 — CID 65226936

IUPAC2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(CN)c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C13H18N4/c1-3-10(9-14)13-15-12(16-17(13)2)11-7-5-4-6-8-11/h4-8,10H,3,9,14H2,1-2H3
InChIKeyWXTASGNODGCCGI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.93
Rot. Bonds4

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

2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 65226936) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID65226936
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(CN)c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C13H18N4/c1-3-10(9-14)13-15-12(16-17(13)2)11-7-5-4-6-8-11/h4-8,10H,3,9,14H2,1-2H3
InChIKeyWXTASGNODGCCGI-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62723069
2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol
CID 66167131
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62721278
N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 55123206
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226550
cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62723083
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64672697
1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine
CID 166312810
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887194
2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
CID 83827000

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine (CID 65226936) is 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine is CCC(CN)c1nc(-c2ccccc2)nn1C.
What is the InChIKey of 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is WXTASGNODGCCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-10(9-14)13-15-12(16-17(13)2)11-7-5-4-6-8-11/h4-8,10H,3,9,14H2,1-2H3.
What are the key properties of 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine?
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 65226936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).