3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide

C8H12N4O2 — CID 115685000

IUPAC3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ncc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-5(4-6(9)13)12-7-8(14)11-3-2-10-7/h2-3,5H,4H2,1H3,(H2,9,13)(H,10,12)(H,11,14)
InChIKeyKLTIVIGGNMHIGZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.55
Rot. Bonds4

About 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide

3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide (PubChem CID 115685000) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide.

Molecular Properties

Compound Name3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
PubChem CID115685000
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ncc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-5(4-6(9)13)12-7-8(14)11-3-2-10-7/h2-3,5H,4H2,1H3,(H2,9,13)(H,10,12)(H,11,14)
InChIKeyKLTIVIGGNMHIGZ-UHFFFAOYSA-N
XLogP-0.55
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
CID 114571495
3-(1-methylsulfonylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657583
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
CID 114986519
methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate
CID 114571199
3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
CID 115715184
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136977320
N,N-dimethyl-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 115898862
N-(2-methylpropyl)-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569242
3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657160
3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114570963
3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide
CID 144912549
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide?
The IUPAC name of 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide (CID 115685000) is 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide.
What is the SMILES notation for 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide?
The canonical SMILES for 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide is CC(CC(N)=O)Nc1ncc[nH]c1=O.
What is the InChIKey of 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide?
The InChIKey is KLTIVIGGNMHIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(4-6(9)13)12-7-8(14)11-3-2-10-7/h2-3,5H,4H2,1H3,(H2,9,13)(H,10,12)(H,11,14).
What are the key properties of 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide?
3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide has a molecular weight of 196.21 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide is sourced from PubChem (CID 115685000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).