3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one

C10H13N5O — CID 103858282

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one
SMILESCc1c(CNc2ncc[nH]c2=O)cnn1C
InChIInChI=1S/C10H13N5O/c1-7-8(6-14-15(7)2)5-13-9-10(16)12-4-3-11-9/h3-4,6H,5H2,1-2H3,(H,11,13)(H,12,16)
InChIKeyDYYHONRSMJUKEK-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.42
Rot. Bonds3

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

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one (PubChem CID 103858282) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one
PubChem CID103858282
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one
SMILESCc1c(CNc2ncc[nH]c2=O)cnn1C
InChIInChI=1S/C10H13N5O/c1-7-8(6-14-15(7)2)5-13-9-10(16)12-4-3-11-9/h3-4,6H,5H2,1-2H3,(H,11,13)(H,12,16)
InChIKeyDYYHONRSMJUKEK-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

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 106035329
3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106042704
3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
CID 115650170
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041067
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-pyrazin-2-one
CID 115657215
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 106041456
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 106041223
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114139841
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114139877
5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
CID 106035477

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one (CID 103858282) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one is Cc1c(CNc2ncc[nH]c2=O)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one?
The InChIKey is DYYHONRSMJUKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-8(6-14-15(7)2)5-13-9-10(16)12-4-3-11-9/h3-4,6H,5H2,1-2H3,(H,11,13)(H,12,16).
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one?
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-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 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 103858282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).