3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one

C12H22N4O — CID 113496630

IUPAC3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(CC)CCN)c1=O
InChIInChI=1S/C12H22N4O/c1-3-8-16-9-7-14-11(12(16)17)15-10(4-2)5-6-13/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyJNDAKAFUVFKERW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.19
Rot. Bonds7

About 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one

3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one (PubChem CID 113496630) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one
PubChem CID113496630
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(CC)CCN)c1=O
InChIInChI=1S/C12H22N4O/c1-3-8-16-9-7-14-11(12(16)17)15-10(4-2)5-6-13/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyJNDAKAFUVFKERW-UHFFFAOYSA-N
XLogP1.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
CID 114154979
3-(1-aminobutan-2-ylamino)-1-methylpyrazin-2-one
CID 63765313
3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one
CID 113486538
3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
CID 65192630
3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
CID 63760377
3-(4-chloropentylamino)-1-propylpyrazin-2-one
CID 106124558
3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one
CID 62927796
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one
CID 63759006

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one (CID 113496630) is 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NC(CC)CCN)c1=O.
What is the InChIKey of 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one?
The InChIKey is JNDAKAFUVFKERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-8-16-9-7-14-11(12(16)17)15-10(4-2)5-6-13/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one?
3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 113496630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).