2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol

C9H18N4O — CID 78964774

IUPAC2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol
SMILESCN(Cc1nncn1C)CC(C)(C)O
InChIInChI=1S/C9H18N4O/c1-9(2,14)6-12(3)5-8-11-10-7-13(8)4/h7,14H,5-6H2,1-4H3
InChIKeyFKILUGPCPDWICJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.02
Rot. Bonds4

About 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol

2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol (PubChem CID 78964774) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol
PubChem CID78964774
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol
SMILESCN(Cc1nncn1C)CC(C)(C)O
InChIInChI=1S/C9H18N4O/c1-9(2,14)6-12(3)5-8-11-10-7-13(8)4/h7,14H,5-6H2,1-4H3
InChIKeyFKILUGPCPDWICJ-UHFFFAOYSA-N
XLogP0.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-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

Related Compounds

4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol
CID 115666950
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332560
2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol
CID 79355147
1-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 79389441
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106635758
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166425331
2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 78990642
2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
CID 79175697
(2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 122630481
methyl 2-[ethyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetate
CID 78990543
formic acid;N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 154909833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol (CID 78964774) is 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol is CN(Cc1nncn1C)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol?
The InChIKey is FKILUGPCPDWICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-9(2,14)6-12(3)5-8-11-10-7-13(8)4/h7,14H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol?
2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 78964774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).