1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide

C11H14N6O2 — CID 30866316

IUPAC1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ncn[nH]2)ccc1=O
InChIInChI=1S/C11H14N6O2/c1-2-3-6-17-9(18)5-4-8(16-17)10(19)14-11-12-7-13-15-11/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14,15,19)
InChIKeyPZNQSYARBQWSEA-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.41
Rot. Bonds5

About 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide

1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide (PubChem CID 30866316) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
PubChem CID30866316
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ncn[nH]2)ccc1=O
InChIInChI=1S/C11H14N6O2/c1-2-3-6-17-9(18)5-4-8(16-17)10(19)14-11-12-7-13-15-11/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14,15,19)
InChIKeyPZNQSYARBQWSEA-UHFFFAOYSA-N
XLogP0.41
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide (CID 30866316) is 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ncn[nH]2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide?
The InChIKey is PZNQSYARBQWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-2-3-6-17-9(18)5-4-8(16-17)10(19)14-11-12-7-13-15-11/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14,15,19).
What are the key properties of 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide?
1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 30866316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).