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

C10H14N6O — CID 103943105

IUPAC1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
SMILESCCn1ccnc(NC(C)c2ncn[nH]2)c1=O
InChIInChI=1S/C10H14N6O/c1-3-16-5-4-11-9(10(16)17)14-7(2)8-12-6-13-15-8/h4-7H,3H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyKJRQHMMDMAWAHZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.55
Rot. Bonds4

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

1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one (PubChem CID 103943105) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
PubChem CID103943105
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
SMILESCCn1ccnc(NC(C)c2ncn[nH]2)c1=O
InChIInChI=1S/C10H14N6O/c1-3-16-5-4-11-9(10(16)17)14-7(2)8-12-6-13-15-8/h4-7H,3H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyKJRQHMMDMAWAHZ-UHFFFAOYSA-N
XLogP0.55
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]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-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
CID 113356058
1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
CID 62939685
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
CID 63927744
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62939329
3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one
CID 62940758
3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
CID 63760377
N-ethyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-methylpropanamide
CID 103111577
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
CID 62940940
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282806
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 115303205
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one (CID 103943105) is 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one is CCn1ccnc(NC(C)c2ncn[nH]2)c1=O.
What is the InChIKey of 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one?
The InChIKey is KJRQHMMDMAWAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-16-5-4-11-9(10(16)17)14-7(2)8-12-6-13-15-8/h4-7H,3H2,1-2H3,(H,11,14)(H,12,13,15).
What are the key properties of 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one?
1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 103943105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).