[5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine

C14H20N4 — CID 112592729

IUPAC[5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
SMILESCCC(C)(C)c1nnc(CN)n1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-4-14(2,3)13-17-16-12(10-15)18(13)11-8-6-5-7-9-11/h5-9H,4,10,15H2,1-3H3
InChIKeyWYWYAUVTTXOOFU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.41
Rot. Bonds4

About [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine

[5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112592729) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112592729
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
SMILESCCC(C)(C)c1nnc(CN)n1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-4-14(2,3)13-17-16-12(10-15)18(13)11-8-6-5-7-9-11/h5-9H,4,10,15H2,1-3H3
InChIKeyWYWYAUVTTXOOFU-UHFFFAOYSA-N
XLogP2.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine 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

5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazole-3-sulfonyl chloride
CID 113365995
(5-butyl-4-phenyl-1,2,4-triazol-3-yl)methanamine
CID 112592719
[4-phenyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 112606037
[5-(2,6-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943829
3-(chloromethyl)-5-(2-methylsulfonylpropan-2-yl)-4-phenyl-1,2,4-triazole
CID 115397292
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
[5-(2-chloro-3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943836
(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593472
[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943875
2,3-dimethyl-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-2-amine
CID 65261578
[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943885
3-(chloromethyl)-4-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
CID 113301814

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine (CID 112592729) is [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine is CCC(C)(C)c1nnc(CN)n1-c1ccccc1.
What is the InChIKey of [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is WYWYAUVTTXOOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-14(2,3)13-17-16-12(10-15)18(13)11-8-6-5-7-9-11/h5-9H,4,10,15H2,1-3H3.
What are the key properties of [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112592729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).