6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide

C16H15N7O3 — CID 43071048

IUPAC6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1)n1cncn1
InChIInChI=1S/C16H15N7O3/c1-10(23-9-17-8-18-23)15(25)19-11-2-4-12(5-3-11)20-16(26)13-6-7-14(24)22-21-13/h2-10H,1H3,(H,19,25)(H,20,26)(H,22,24)
InChIKeyQJFPITDHAYZMFZ-UHFFFAOYSA-N
MW353.34 g/mol
LogP0.81
Rot. Bonds5

About 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide (PubChem CID 43071048) has the molecular formula C16H15N7O3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide
PubChem CID43071048
Molecular FormulaC16H15N7O3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1)n1cncn1
InChIInChI=1S/C16H15N7O3/c1-10(23-9-17-8-18-23)15(25)19-11-2-4-12(5-3-11)20-16(26)13-6-7-14(24)22-21-13/h2-10H,1H3,(H,19,25)(H,20,26)(H,22,24)
InChIKeyQJFPITDHAYZMFZ-UHFFFAOYSA-N
XLogP0.81
TPSA134.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 43064394
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299
5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 43071036
2-amino-3-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide;dihydrochloride
CID 119848887
5-bromo-2-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 55622456
2,4-dichloro-5-fluoro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46439736
4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43071024
(2S)-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97225492
2-(4-chlorophenyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 46402676
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide (CID 43071048) is 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide is CC(C(=O)Nc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1)n1cncn1.
What is the InChIKey of 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide?
The InChIKey is QJFPITDHAYZMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O3/c1-10(23-9-17-8-18-23)15(25)19-11-2-4-12(5-3-11)20-16(26)13-6-7-14(24)22-21-13/h2-10H,1H3,(H,19,25)(H,20,26)(H,22,24).
What are the key properties of 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43071048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).