1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol

C6H12N4O — CID 84650384

IUPAC1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol
SMILESCC(O)(CN)Cn1ccnn1
InChIInChI=1S/C6H12N4O/c1-6(11,4-7)5-10-3-2-8-9-10/h2-3,11H,4-5,7H2,1H3
InChIKeyMVRRLTGMLJORMS-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.01
Rot. Bonds3

About 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol

1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol (PubChem CID 84650384) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol
PubChem CID84650384
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol
SMILESCC(O)(CN)Cn1ccnn1
InChIInChI=1S/C6H12N4O/c1-6(11,4-7)5-10-3-2-8-9-10/h2-3,11H,4-5,7H2,1H3
InChIKeyMVRRLTGMLJORMS-UHFFFAOYSA-N
XLogP-1.01
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-2-methyl-3-(triazol-1-yl)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

3-[(1H-1,2,3-triazol-1-yl)methyl]pyrrolidin-3-ol
CID 122156743
2-Fluoro-2-methyl-3-(triazol-1-yl)propan-1-amine
CID 84650763
1,1,1-Trifluoro-2-methyl-3-(triazol-1-yl)propan-2-ol
CID 132299953
1-amino-3-(1H-1,2,3-triazol-1-yl)propan-2-ol
CID 18765667
1-(Triazol-1-yl)propan-2-ol
CID 22114362
2-Methyl-1-(triazol-1-yl)propan-2-ol
CID 83815150
2,2-Dimethyl-3-(triazol-1-yl)propan-1-amine
CID 84020935
2-Methyl-1-(triazol-1-yl)butan-2-ol
CID 89501189
(3S)-3-amino-1-(triazol-1-yl)butan-2-ol
CID 118525660
(2R)-1-(triazol-1-yl)propan-2-ol
CID 129170845
1-Amino-3-(triazol-1-yl)propan-2-ol;hydrochloride
CID 142774903
2-methoxy-N-methyl-3-(triazol-1-yl)propan-1-amine
CID 156222409

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol (CID 84650384) is 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol is CC(O)(CN)Cn1ccnn1.
What is the InChIKey of 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol?
The InChIKey is MVRRLTGMLJORMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-6(11,4-7)5-10-3-2-8-9-10/h2-3,11H,4-5,7H2,1H3.
What are the key properties of 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol?
1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol has a molecular weight of 156.19 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 84650384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).