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

C13H18N4 — CID 64672697

IUPAC2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1nc(-c2ccccc2)nc1CC(C)(C)N
InChIInChI=1S/C13H18N4/c1-13(2,14)9-11-15-12(16-17(11)3)10-7-5-4-6-8-10/h4-8H,9,14H2,1-3H3
InChIKeyWZTXGVDRALITDX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.76
Rot. Bonds3

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

2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 64672697) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID64672697
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1nc(-c2ccccc2)nc1CC(C)(C)N
InChIInChI=1S/C13H18N4/c1-13(2,14)9-11-15-12(16-17(11)3)10-7-5-4-6-8-10/h4-8H,9,14H2,1-3H3
InChIKeyWZTXGVDRALITDX-UHFFFAOYSA-N
XLogP1.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 62734128
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butanoic acid
CID 62734691
1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine
CID 166312810
N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine
CID 115277894
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62723069
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62721289
2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol
CID 66167131
3-[4-(4-tert-butylphenyl)phenyl]-1-methyl-5-propyl-1,2,4-triazole
CID 140771991
[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487224
3-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 115825871
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine (CID 64672697) is 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine is Cn1nc(-c2ccccc2)nc1CC(C)(C)N.
What is the InChIKey of 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is WZTXGVDRALITDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2,14)9-11-15-12(16-17(11)3)10-7-5-4-6-8-10/h4-8H,9,14H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine?
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 64672697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).