6-methylpyridazine-4-carboxamide

C6H7N3O — CID 130701228

IUPAC6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(N)=O)cnn1
InChIInChI=1S/C6H7N3O/c1-4-2-5(6(7)10)3-8-9-4/h2-3H,1H3,(H2,7,10)
InChIKeyYXQYDYBRRKOGFW-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.12
Rot. Bonds1

About 6-methylpyridazine-4-carboxamide

6-methylpyridazine-4-carboxamide (PubChem CID 130701228) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name6-methylpyridazine-4-carboxamide
PubChem CID130701228
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(N)=O)cnn1
InChIInChI=1S/C6H7N3O/c1-4-2-5(6(7)10)3-8-9-4/h2-3H,1H3,(H2,7,10)
InChIKeyYXQYDYBRRKOGFW-UHFFFAOYSA-N
XLogP-0.12
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyridazine-4-carboxamide?
The IUPAC name of 6-methylpyridazine-4-carboxamide (CID 130701228) is 6-methylpyridazine-4-carboxamide.
What is the SMILES notation for 6-methylpyridazine-4-carboxamide?
The canonical SMILES for 6-methylpyridazine-4-carboxamide is Cc1cc(C(N)=O)cnn1.
What is the InChIKey of 6-methylpyridazine-4-carboxamide?
The InChIKey is YXQYDYBRRKOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-4-2-5(6(7)10)3-8-9-4/h2-3H,1H3,(H2,7,10).
What are the key properties of 6-methylpyridazine-4-carboxamide?
6-methylpyridazine-4-carboxamide has a molecular weight of 137.14 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 130701228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).