2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol

C8H14N4O — CID 64809235

IUPAC2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol
SMILESOCC(Cn1cncn1)NC1CC1
InChIInChI=1S/C8H14N4O/c13-4-8(11-7-1-2-7)3-12-6-9-5-10-12/h5-8,11,13H,1-4H2
InChIKeyWPQWECFWSQVLTK-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.61
Rot. Bonds5

About 2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol

2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol (PubChem CID 64809235) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol
PubChem CID64809235
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol
SMILESOCC(Cn1cncn1)NC1CC1
InChIInChI=1S/C8H14N4O/c13-4-8(11-7-1-2-7)3-12-6-9-5-10-12/h5-8,11,13H,1-4H2
InChIKeyWPQWECFWSQVLTK-UHFFFAOYSA-N
XLogP-0.61
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylamino)-3-(1,2,4-triazol-1-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-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol (CID 64809235) is 2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol is OCC(Cn1cncn1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol?
The InChIKey is WPQWECFWSQVLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c13-4-8(11-7-1-2-7)3-12-6-9-5-10-12/h5-8,11,13H,1-4H2.
What are the key properties of 2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol?
2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol has a molecular weight of 182.23 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol is sourced from PubChem (CID 64809235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).