3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one

C11H15N5O — CID 112670534

IUPAC3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
SMILESCc1nn(C)cc1CNc1nccn(C)c1=O
InChIInChI=1S/C11H15N5O/c1-8-9(7-16(3)14-8)6-13-10-11(17)15(2)5-4-12-10/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyJIPZLFXVMNGBKS-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.43
Rot. Bonds3

About 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one

3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one (PubChem CID 112670534) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
PubChem CID112670534
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
SMILESCc1nn(C)cc1CNc1nccn(C)c1=O
InChIInChI=1S/C11H15N5O/c1-8-9(7-16(3)14-8)6-13-10-11(17)15(2)5-4-12-10/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyJIPZLFXVMNGBKS-UHFFFAOYSA-N
XLogP0.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
CID 62940429
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 115991936
5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
CID 83088804
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrazin-2-one
CID 62938875
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one
CID 62940431
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
1-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazin-2-one
CID 104626468
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one (CID 112670534) is 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one is Cc1nn(C)cc1CNc1nccn(C)c1=O.
What is the InChIKey of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one?
The InChIKey is JIPZLFXVMNGBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-9(7-16(3)14-8)6-13-10-11(17)15(2)5-4-12-10/h4-5,7H,6H2,1-3H3,(H,12,13).
What are the key properties of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one?
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one has a molecular weight of 233.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 112670534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).