1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one

C10H13N5O — CID 62940429

IUPAC1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
SMILESCc1[nH]ncc1CNc1nccn(C)c1=O
InChIInChI=1S/C10H13N5O/c1-7-8(6-13-14-7)5-12-9-10(16)15(2)4-3-11-9/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFLOACAQNYILZBO-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.42
Rot. Bonds3

About 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one

1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one (PubChem CID 62940429) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
PubChem CID62940429
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
SMILESCc1[nH]ncc1CNc1nccn(C)c1=O
InChIInChI=1S/C10H13N5O/c1-7-8(6-13-14-7)5-12-9-10(16)15(2)4-3-11-9/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFLOACAQNYILZBO-UHFFFAOYSA-N
XLogP0.42
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
CID 62133116
1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one
CID 62940431
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
CID 112670534
N-[(1-methylimidazol-2-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 62350133
1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one
CID 62940084
1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129344132
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridin-2-one
CID 60932541
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974356
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrazin-2-one
CID 62938875

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one (CID 62940429) is 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one is Cc1[nH]ncc1CNc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one?
The InChIKey is FLOACAQNYILZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-8(6-13-14-7)5-12-9-10(16)15(2)4-3-11-9/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one?
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one has a molecular weight of 219.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 62940429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).