3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride

C5H11ClN4O — CID 135966758

IUPAC3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
SMILESCl.NCCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O.ClH/c6-3-1-2-4-7-5(10)9-8-4;/h1-3,6H2,(H2,7,8,9,10);1H
InChIKeyYRNVPDJVDXWIHL-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.59
Rot. Bonds3

About 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride

3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride (PubChem CID 135966758) has the molecular formula C5H11ClN4O and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
PubChem CID135966758
Molecular FormulaC5H11ClN4O
Molecular Weight178.62 g/mol
Exact Mass178.06
IUPAC Name3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
SMILESCl.NCCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O.ClH/c6-3-1-2-4-7-5(10)9-8-4;/h1-3,6H2,(H2,7,8,9,10);1H
InChIKeyYRNVPDJVDXWIHL-UHFFFAOYSA-N
XLogP-0.59
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride 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-propyl-1H-1,2,4-triazol-5(4H)-one
CID 135449528
3-(2-aminoethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 135966760
5-(1-aminoethyl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CID 135980018
3-(2-Aminoethyl)-1H-1,2,4-triazol-5(4H)-one
CID 135873057
5-(3-Aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one
CID 135966759
5-(1-Amino-ethyl)-2,4-dihydro-[1,2,4]triazol-3-one
CID 135742573
4-(methylamino)-3-propyl-1H-1,2,4-triazol-5-one
CID 14801428
4,5-dihydro-1H-pyrazol-3-ylurea
CID 67370012
3-(2-Aminoethyl)-2-methyl-1,4-dihydro-1,2,4-triazol-2-ium-5-one
CID 123805605
5-(2-(Methylamino)ethyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
CID 136168643
3-[2-(Dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136996780
3-(1-Amino-3-iminopropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137153318

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
The IUPAC name of 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride (CID 135966758) is 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride.
What is the SMILES notation for 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
The canonical SMILES for 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride is Cl.NCCCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
The InChIKey is YRNVPDJVDXWIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.ClH/c6-3-1-2-4-7-5(10)9-8-4;/h1-3,6H2,(H2,7,8,9,10);1H.
What are the key properties of 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride is sourced from PubChem (CID 135966758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).