N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide

C9H8F3N3O — CID 172707047

IUPACN-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cccnn1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)8(3-4-8)14-7(16)6-2-1-5-13-15-6/h1-2,5H,3-4H2,(H,14,16)
InChIKeyDSOVBSWPZGDGQY-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.30
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide

N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide (PubChem CID 172707047) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide
PubChem CID172707047
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cccnn1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)8(3-4-8)14-7(16)6-2-1-5-13-15-6/h1-2,5H,3-4H2,(H,14,16)
InChIKeyDSOVBSWPZGDGQY-UHFFFAOYSA-N
XLogP1.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide (CID 172707047) is N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1cccnn1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide?
The InChIKey is DSOVBSWPZGDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c10-9(11,12)8(3-4-8)14-7(16)6-2-1-5-13-15-6/h1-2,5H,3-4H2,(H,14,16).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide?
N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide has a molecular weight of 231.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide is sourced from PubChem (CID 172707047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).