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

C10H16ClN3O — CID 130892545

IUPAC3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one
SMILESCCC(Nc1nccn(C)c1=O)C(C)Cl
InChIInChI=1S/C10H16ClN3O/c1-4-8(7(2)11)13-9-10(15)14(3)6-5-12-9/h5-8H,4H2,1-3H3,(H,12,13)
InChIKeySIVHXAIYVPZHPQ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.60
Rot. Bonds4

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

3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one (PubChem CID 130892545) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one
PubChem CID130892545
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one
SMILESCCC(Nc1nccn(C)c1=O)C(C)Cl
InChIInChI=1S/C10H16ClN3O/c1-4-8(7(2)11)13-9-10(15)14(3)6-5-12-9/h5-8H,4H2,1-3H3,(H,12,13)
InChIKeySIVHXAIYVPZHPQ-UHFFFAOYSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
CID 103703893
3-(1-aminobutan-2-ylamino)-1-methylpyrazin-2-one
CID 63765313
1-methyl-3-(2-methylbutylamino)pyrazin-2-one
CID 62938700
3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
CID 79033342
1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
CID 64642834
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one
CID 113251679
3-(1-cyclopropylethylamino)-1-methylpyrazin-2-one
CID 62940076
3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
CID 65192630
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939909
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
3-[(2-chloro-3-methoxypropyl)amino]-1-methylpyrazin-2-one
CID 65027955

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one?
The IUPAC name of 3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one (CID 130892545) is 3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one is CCC(Nc1nccn(C)c1=O)C(C)Cl.
What is the InChIKey of 3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one?
The InChIKey is SIVHXAIYVPZHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-8(7(2)11)13-9-10(15)14(3)6-5-12-9/h5-8H,4H2,1-3H3,(H,12,13).
What are the key properties of 3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one?
3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one has a molecular weight of 229.71 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one is sourced from PubChem (CID 130892545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).