4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide

C10H9N5O — CID 140674311

IUPAC4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide
SMILESNC(=O)c1nnccc1Cc1ccncn1
InChIInChI=1S/C10H9N5O/c11-10(16)9-7(1-4-14-15-9)5-8-2-3-12-6-13-8/h1-4,6H,5H2,(H2,11,16)
InChIKeyQLLFEVUBLPGVGM-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.04
Rot. Bonds3

About 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide

4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 140674311) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID140674311
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide
SMILESNC(=O)c1nnccc1Cc1ccncn1
InChIInChI=1S/C10H9N5O/c11-10(16)9-7(1-4-14-15-9)5-8-2-3-12-6-13-8/h1-4,6H,5H2,(H2,11,16)
InChIKeyQLLFEVUBLPGVGM-UHFFFAOYSA-N
XLogP-0.04
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide (CID 140674311) is 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide is NC(=O)c1nnccc1Cc1ccncn1.
What is the InChIKey of 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is QLLFEVUBLPGVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-10(16)9-7(1-4-14-15-9)5-8-2-3-12-6-13-8/h1-4,6H,5H2,(H2,11,16).
What are the key properties of 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide?
4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 215.22 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 140674311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).