6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide

C9H7ClN4O2 — CID 60859349

IUPAC6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)nn2)on1
InChIInChI=1S/C9H7ClN4O2/c1-5-4-8(16-14-5)11-9(15)6-2-3-7(10)13-12-6/h2-4H,1H3,(H,11,15)
InChIKeyNTPVGWGHSQYSRW-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.68
Rot. Bonds2

About 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide

6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide (PubChem CID 60859349) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide
PubChem CID60859349
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)nn2)on1
InChIInChI=1S/C9H7ClN4O2/c1-5-4-8(16-14-5)11-9(15)6-2-3-7(10)13-12-6/h2-4H,1H3,(H,11,15)
InChIKeyNTPVGWGHSQYSRW-UHFFFAOYSA-N
XLogP1.68
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide (CID 60859349) is 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)nn2)on1.
What is the InChIKey of 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide?
The InChIKey is NTPVGWGHSQYSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c1-5-4-8(16-14-5)11-9(15)6-2-3-7(10)13-12-6/h2-4H,1H3,(H,11,15).
What are the key properties of 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide?
6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide has a molecular weight of 238.63 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 60859349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).