3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one

C14H15N5O — CID 172757021

IUPAC3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one
SMILESCc1nn(C)c2cccc(Nc3nccn(C)c3=O)c12
InChIInChI=1S/C14H15N5O/c1-9-12-10(5-4-6-11(12)19(3)17-9)16-13-14(20)18(2)8-7-15-13/h4-8H,1-3H3,(H,15,16)
InChIKeyLDVSFVUHBRAWLI-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.72
Rot. Bonds2

About 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one

3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one (PubChem CID 172757021) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one
PubChem CID172757021
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one
SMILESCc1nn(C)c2cccc(Nc3nccn(C)c3=O)c12
InChIInChI=1S/C14H15N5O/c1-9-12-10(5-4-6-11(12)19(3)17-9)16-13-14(20)18(2)8-7-15-13/h4-8H,1-3H3,(H,15,16)
InChIKeyLDVSFVUHBRAWLI-UHFFFAOYSA-N
XLogP1.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-hydroxyanilino)-1-methylpyrazin-2-one
CID 141160847
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1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
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3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one
CID 134160490
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CID 62940791
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
CID 112670534
N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide
CID 130650649
3-[2-[ethyl(methyl)amino]ethylamino]-1-methylpyrazin-2-one
CID 62938529
(4-methyl-3-oxopyrazin-2-yl)urea
CID 130723706
1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane
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CID 107627985

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one (CID 172757021) is 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one is Cc1nn(C)c2cccc(Nc3nccn(C)c3=O)c12.
What is the InChIKey of 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one?
The InChIKey is LDVSFVUHBRAWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-12-10(5-4-6-11(12)19(3)17-9)16-13-14(20)18(2)8-7-15-13/h4-8H,1-3H3,(H,15,16).
What are the key properties of 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one?
3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 172757021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).