2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

C9H18N4O — CID 130608326

IUPAC2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCc1nnc(C(C)(N)CO)n1C(C)C
InChIInChI=1S/C9H18N4O/c1-6(2)13-7(3)11-12-8(13)9(4,10)5-14/h6,14H,5,10H2,1-4H3
InChIKeyGTYXFQQZRQLIMA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.33
Rot. Bonds3

About 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 130608326) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID130608326
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCc1nnc(C(C)(N)CO)n1C(C)C
InChIInChI=1S/C9H18N4O/c1-6(2)13-7(3)11-12-8(13)9(4,10)5-14/h6,14H,5,10H2,1-4H3
InChIKeyGTYXFQQZRQLIMA-UHFFFAOYSA-N
XLogP0.33
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-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 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (CID 130608326) is 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is Cc1nnc(C(C)(N)CO)n1C(C)C.
What is the InChIKey of 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is GTYXFQQZRQLIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(2)13-7(3)11-12-8(13)9(4,10)5-14/h6,14H,5,10H2,1-4H3.
What are the key properties of 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 130608326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).