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

C10H18N4O — CID 65192630

IUPAC3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
SMILESCCCC(CN)Nc1nccn(C)c1=O
InChIInChI=1S/C10H18N4O/c1-3-4-8(7-11)13-9-10(15)14(2)6-5-12-9/h5-6,8H,3-4,7,11H2,1-2H3,(H,12,13)
InChIKeyKXTZZWDSXSZSCD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.32
Rot. Bonds5

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

3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one (PubChem CID 65192630) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
PubChem CID65192630
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
SMILESCCCC(CN)Nc1nccn(C)c1=O
InChIInChI=1S/C10H18N4O/c1-3-4-8(7-11)13-9-10(15)14(2)6-5-12-9/h5-6,8H,3-4,7,11H2,1-2H3,(H,12,13)
InChIKeyKXTZZWDSXSZSCD-UHFFFAOYSA-N
XLogP0.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-aminobutan-2-ylamino)-1-methylpyrazin-2-one
CID 63765313
3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
CID 114154979
3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one
CID 113496630
3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
CID 79033342
3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 65034860
2-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,2-diamine
CID 104732620
3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one
CID 130892545
3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
CID 63760377
2-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,2-diamine
CID 104732624
N-hexan-3-yl-1-methylimidazol-2-amine
CID 62133661
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
CID 103703893
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one?
The IUPAC name of 3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one (CID 65192630) is 3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one is CCCC(CN)Nc1nccn(C)c1=O.
What is the InChIKey of 3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one?
The InChIKey is KXTZZWDSXSZSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-8(7-11)13-9-10(15)14(2)6-5-12-9/h5-6,8H,3-4,7,11H2,1-2H3,(H,12,13).
What are the key properties of 3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one?
3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one is sourced from PubChem (CID 65192630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).