N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide

C9H8ClN5O — CID 103512448

IUPACN-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C9H8ClN5O/c1-15-5-11-4-6(15)9(16)12-8-3-2-7(10)13-14-8/h2-5H,1H3,(H,12,14,16)
InChIKeyWASPSDDKCTWIIM-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.12
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide

N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide (PubChem CID 103512448) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide
PubChem CID103512448
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC NameN-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C9H8ClN5O/c1-15-5-11-4-6(15)9(16)12-8-3-2-7(10)13-14-8/h2-5H,1H3,(H,12,14,16)
InChIKeyWASPSDDKCTWIIM-UHFFFAOYSA-N
XLogP1.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide (CID 103512448) is N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide?
The InChIKey is WASPSDDKCTWIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c1-15-5-11-4-6(15)9(16)12-8-3-2-7(10)13-14-8/h2-5H,1H3,(H,12,14,16).
What are the key properties of N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide?
N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide has a molecular weight of 237.65 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103512448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).