3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one

C9H16N4O — CID 114571495

IUPAC3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
SMILESCC(N)CC(C)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-6(10)5-7(2)13-8-9(14)12-4-3-11-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyMMBDHXNOAWHJGZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.31
Rot. Bonds4

About 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one

3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one (PubChem CID 114571495) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
PubChem CID114571495
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
SMILESCC(N)CC(C)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-6(10)5-7(2)13-8-9(14)12-4-3-11-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyMMBDHXNOAWHJGZ-UHFFFAOYSA-N
XLogP0.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
CID 115685000
3-(1-methylsulfonylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657583
3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114570963
3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
CID 115715184
3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657160
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
CID 114986519
3-[(1-chloro-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114571361
methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate
CID 114571199
N-(2-methylpropyl)-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569242
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
N,N-dimethyl-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 115898862
3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one
CID 127009394

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one (CID 114571495) is 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one is CC(N)CC(C)Nc1ncc[nH]c1=O.
What is the InChIKey of 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one?
The InChIKey is MMBDHXNOAWHJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(10)5-7(2)13-8-9(14)12-4-3-11-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one?
3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 114571495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).