6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide

C11H11F3N6O2 — CID 43051657

IUPAC6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)ccc1=O
InChIInChI=1S/C11H11F3N6O2/c1-2-5-20-7(21)4-3-6(19-20)8(22)15-10-16-9(17-18-10)11(12,13)14/h3-4H,2,5H2,1H3,(H2,15,16,17,18,22)
InChIKeyVEKWYYZZPNQDAV-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.04
Rot. Bonds4

About 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide

6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide (PubChem CID 43051657) has the molecular formula C11H11F3N6O2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide
PubChem CID43051657
Molecular FormulaC11H11F3N6O2
Molecular Weight316.24 g/mol
Exact Mass316.09
IUPAC Name6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)ccc1=O
InChIInChI=1S/C11H11F3N6O2/c1-2-5-20-7(21)4-3-6(19-20)8(22)15-10-16-9(17-18-10)11(12,13)14/h3-4H,2,5H2,1H3,(H2,15,16,17,18,22)
InChIKeyVEKWYYZZPNQDAV-UHFFFAOYSA-N
XLogP1.04
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide (CID 43051657) is 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide?
The InChIKey is VEKWYYZZPNQDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O2/c1-2-5-20-7(21)4-3-6(19-20)8(22)15-10-16-9(17-18-10)11(12,13)14/h3-4H,2,5H2,1H3,(H2,15,16,17,18,22).
What are the key properties of 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide?
6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 43051657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).