1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one

C13H20N6O — CID 64530049

IUPAC1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCCc2ncn[nH]2)c1=O
InChIInChI=1S/C13H20N6O/c1-10(2)8-19-7-6-15-12(13(19)20)14-5-3-4-11-16-9-17-18-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyDYXVCMJBWLJDRS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.06
Rot. Bonds7

About 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one

1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one (PubChem CID 64530049) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one
PubChem CID64530049
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCCc2ncn[nH]2)c1=O
InChIInChI=1S/C13H20N6O/c1-10(2)8-19-7-6-15-12(13(19)20)14-5-3-4-11-16-9-17-18-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyDYXVCMJBWLJDRS-UHFFFAOYSA-N
XLogP1.06
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-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

1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-[2-(1H-imidazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 65232547
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939485
1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one
CID 63330276

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one (CID 64530049) is 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one is CC(C)Cn1ccnc(NCCCc2ncn[nH]2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one?
The InChIKey is DYXVCMJBWLJDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10(2)8-19-7-6-15-12(13(19)20)14-5-3-4-11-16-9-17-18-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)(H,16,17,18).
What are the key properties of 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one?
1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one is sourced from PubChem (CID 64530049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).