2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H19N5O — CID 66271539

IUPAC2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)CNCCCn1nc2cnccn2c1=O
InChIInChI=1S/C12H19N5O/c1-10(2)8-13-4-3-6-17-12(18)16-7-5-14-9-11(16)15-17/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyFYBNIKASZKBRQT-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.53
Rot. Bonds6

About 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271539) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271539
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)CNCCCn1nc2cnccn2c1=O
InChIInChI=1S/C12H19N5O/c1-10(2)8-13-4-3-6-17-12(18)16-7-5-14-9-11(16)15-17/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyFYBNIKASZKBRQT-UHFFFAOYSA-N
XLogP0.53
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-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

2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271113
2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75506584
2-(4-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271761
2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 106802579
2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66274308
2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271541
2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273453
2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 103934851
methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
CID 66273457
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271542
2-[2-(propylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271749
2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272397

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271539) is 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)CNCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is FYBNIKASZKBRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-10(2)8-13-4-3-6-17-12(18)16-7-5-14-9-11(16)15-17/h5,7,9-10,13H,3-4,6,8H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 249.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).