N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide

C14H10F3N5O2 — CID 75475858

IUPACN-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc2[nH]cnc12)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)6-24-11-5-4-10(21-22-11)13(23)20-9-3-1-2-8-12(9)19-7-18-8/h1-5,7H,6H2,(H,18,19)(H,20,23)
InChIKeyQYIBJETXOCXZKM-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.55
Rot. Bonds4

About N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide

N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide (PubChem CID 75475858) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
PubChem CID75475858
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC NameN-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc2[nH]cnc12)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)6-24-11-5-4-10(21-22-11)13(23)20-9-3-1-2-8-12(9)19-7-18-8/h1-5,7H,6H2,(H,18,19)(H,20,23)
InChIKeyQYIBJETXOCXZKM-UHFFFAOYSA-N
XLogP2.55
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide (CID 75475858) is N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide is O=C(Nc1cccc2[nH]cnc12)c1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The InChIKey is QYIBJETXOCXZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c15-14(16,17)6-24-11-5-4-10(21-22-11)13(23)20-9-3-1-2-8-12(9)19-7-18-8/h1-5,7H,6H2,(H,18,19)(H,20,23).
What are the key properties of N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide is sourced from PubChem (CID 75475858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).