1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide

C15H15N7O2 — CID 121020005

IUPAC1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H15N7O2/c1-21-10(7-12(20-21)13-9-16-5-6-17-13)8-18-15(24)11-3-4-14(23)22(2)19-11/h3-7,9H,8H2,1-2H3,(H,18,24)
InChIKeyVGSBZPMUJLEAOR-UHFFFAOYSA-N
MW325.33 g/mol
LogP-0.10
Rot. Bonds4

About 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 121020005) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID121020005
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H15N7O2/c1-21-10(7-12(20-21)13-9-16-5-6-17-13)8-18-15(24)11-3-4-14(23)22(2)19-11/h3-7,9H,8H2,1-2H3,(H,18,24)
InChIKeyVGSBZPMUJLEAOR-UHFFFAOYSA-N
XLogP-0.10
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide (CID 121020005) is 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide is Cn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is VGSBZPMUJLEAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-21-10(7-12(20-21)13-9-16-5-6-17-13)8-18-15(24)11-3-4-14(23)22(2)19-11/h3-7,9H,8H2,1-2H3,(H,18,24).
What are the key properties of 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 121020005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).