3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C6H9N5O — CID 126836948

IUPAC3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESNCc1nnc2n1CCNC2=O
InChIInChI=1S/C6H9N5O/c7-3-4-9-10-5-6(12)8-1-2-11(4)5/h1-3,7H2,(H,8,12)
InChIKeyBABSETOAVVPKQC-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.52
Rot. Bonds1

About 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 126836948) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID126836948
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESNCc1nnc2n1CCNC2=O
InChIInChI=1S/C6H9N5O/c7-3-4-9-10-5-6(12)8-1-2-11(4)5/h1-3,7H2,(H,8,12)
InChIKeyBABSETOAVVPKQC-UHFFFAOYSA-N
XLogP-1.52
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one 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 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 126836948) is 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is NCc1nnc2n1CCNC2=O.
What is the InChIKey of 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is BABSETOAVVPKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c7-3-4-9-10-5-6(12)8-1-2-11(4)5/h1-3,7H2,(H,8,12).
What are the key properties of 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 167.17 g/mol, XLogP of -1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 126836948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).