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

C5H10N4O — CID 135966759

IUPAC3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O/c6-3-1-2-4-7-5(10)9-8-4/h1-3,6H2,(H2,7,8,9,10)
InChIKeyUOIGNSPDMJRTGY-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.01
Rot. Bonds3

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

3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135966759) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135966759
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O/c6-3-1-2-4-7-5(10)9-8-4/h1-3,6H2,(H2,7,8,9,10)
InChIKeyUOIGNSPDMJRTGY-UHFFFAOYSA-N
XLogP-1.01
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one 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-Ethyl-1,4-dihydro-1,2,4-triazol-5-one
CID 135489810
5-(3-aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CID 135966758
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-(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
3-ethyl-4-(methylamino)-1H-1,2,4-triazol-5-one
CID 14801431
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
3-(Propylaminomethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135973756

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 135966759) is 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one is NCCCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is UOIGNSPDMJRTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c6-3-1-2-4-7-5(10)9-8-4/h1-3,6H2,(H2,7,8,9,10).
What are the key properties of 3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -1.01, 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 is sourced from PubChem (CID 135966759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).