N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide

C8H8F3N3O — CID 175698751

IUPACN-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1cccnn1)C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c1-5(8(9,10)11)13-7(15)6-3-2-4-12-14-6/h2-5H,1H3,(H,13,15)
InChIKeyGIQGFWPMPVGBOS-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.16
Rot. Bonds2

About N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide

N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide (PubChem CID 175698751) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide
PubChem CID175698751
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1cccnn1)C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c1-5(8(9,10)11)13-7(15)6-3-2-4-12-14-6/h2-5H,1H3,(H,13,15)
InChIKeyGIQGFWPMPVGBOS-UHFFFAOYSA-N
XLogP1.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide (CID 175698751) is N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide is CC(NC(=O)c1cccnn1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide?
The InChIKey is GIQGFWPMPVGBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-5(8(9,10)11)13-7(15)6-3-2-4-12-14-6/h2-5H,1H3,(H,13,15).
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide?
N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide has a molecular weight of 219.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 175698751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).