1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol

C12H24N4O — CID 66179209

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCc1nnc(CNCC(C)(O)CC(C)C)n1C
InChIInChI=1S/C12H24N4O/c1-9(2)6-12(4,17)8-13-7-11-15-14-10(3)16(11)5/h9,13,17H,6-8H2,1-5H3
InChIKeyUMECSLUOKNFMHV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds6

About 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 66179209) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol
PubChem CID66179209
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCc1nnc(CNCC(C)(O)CC(C)C)n1C
InChIInChI=1S/C12H24N4O/c1-9(2)6-12(4,17)8-13-7-11-15-14-10(3)16(11)5/h9,13,17H,6-8H2,1-5H3
InChIKeyUMECSLUOKNFMHV-UHFFFAOYSA-N
XLogP1.01
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol (CID 66179209) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol is Cc1nnc(CNCC(C)(O)CC(C)C)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is UMECSLUOKNFMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-9(2)6-12(4,17)8-13-7-11-15-14-10(3)16(11)5/h9,13,17H,6-8H2,1-5H3.
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66179209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).