2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride

C5H11ClN4O — CID 175152592

IUPAC2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride
SMILESCC(N)C(O)c1ncn[nH]1.Cl
InChIInChI=1S/C5H10N4O.ClH/c1-3(6)4(10)5-7-2-8-9-5;/h2-4,10H,6H2,1H3,(H,7,8,9);1H
InChIKeyJCICJEIILYGMHU-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.39
Rot. Bonds2

About 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride

2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride (PubChem CID 175152592) has the molecular formula C5H11ClN4O and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride
PubChem CID175152592
Molecular FormulaC5H11ClN4O
Molecular Weight178.62 g/mol
Exact Mass178.06
IUPAC Name2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride
SMILESCC(N)C(O)c1ncn[nH]1.Cl
InChIInChI=1S/C5H10N4O.ClH/c1-3(6)4(10)5-7-2-8-9-5;/h2-4,10H,6H2,1H3,(H,7,8,9);1H
InChIKeyJCICJEIILYGMHU-UHFFFAOYSA-N
XLogP-0.39
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride 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-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride (CID 175152592) is 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride is CC(N)C(O)c1ncn[nH]1.Cl.
What is the InChIKey of 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride?
The InChIKey is JCICJEIILYGMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.ClH/c1-3(6)4(10)5-7-2-8-9-5;/h2-4,10H,6H2,1H3,(H,7,8,9);1H.
What are the key properties of 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride?
2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 175152592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).