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

C19H21N7O3 — CID 42957347

IUPAC6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)ccc1=O
InChIInChI=1S/C19H21N7O3/c1-3-10-25-17(27)9-8-16(24-25)19(29)23-15-6-4-14(5-7-15)22-18(28)13(2)26-12-20-11-21-26/h4-9,11-13H,3,10H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyPXCGFSXVCVXPRK-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.70
Rot. Bonds7

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

6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide (PubChem CID 42957347) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide
PubChem CID42957347
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)ccc1=O
InChIInChI=1S/C19H21N7O3/c1-3-10-25-17(27)9-8-16(24-25)19(29)23-15-6-4-14(5-7-15)22-18(28)13(2)26-12-20-11-21-26/h4-9,11-13H,3,10H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyPXCGFSXVCVXPRK-UHFFFAOYSA-N
XLogP1.70
TPSA123.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide (CID 42957347) is 6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide?
The InChIKey is PXCGFSXVCVXPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-3-10-25-17(27)9-8-16(24-25)19(29)23-15-6-4-14(5-7-15)22-18(28)13(2)26-12-20-11-21-26/h4-9,11-13H,3,10H2,1-2H3,(H,22,28)(H,23,29).
What are the key properties of 6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide?
6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 42957347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).