2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide

C11H13F3N4O — CID 133419370

IUPAC2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-4-5-9(18-17-8)16-7-3-1-2-6(7)10(15)19/h4-7H,1-3H2,(H2,15,19)(H,16,18)
InChIKeyZOZPDKFPTXDMJI-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.56
Rot. Bonds3

About 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide

2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide (PubChem CID 133419370) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide
PubChem CID133419370
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-4-5-9(18-17-8)16-7-3-1-2-6(7)10(15)19/h4-7H,1-3H2,(H2,15,19)(H,16,18)
InChIKeyZOZPDKFPTXDMJI-UHFFFAOYSA-N
XLogP1.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
CID 118585519
(3S)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-2-one
CID 97078638
(2,2-Difluorocyclobutyl)-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]azocan-1-yl]methanone
CID 138007604
N2-methyl-N-{(3aR,4S,6aS)-2-[6-(trifluoromethyl)pyridazin-3-yl]octahydrocyclopenta[c]pyrrol-4-yl}-L-leucinamide
CID 66997413
(2S)-2-[[(3aR,4S,6aS)-2-[6-(trifluoromethyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-N,4-dimethylpentanamide
CID 66997414
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 69276530
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 91048452
(2S)-2-[[(3aR,4S,6aS)-2-[6-(trifluoromethyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-methylamino]-4-methylpentanamide
CID 123798243
N-(6-cyclohexylpyridazin-3-yl)-4,4,4-trifluorobutanamide;N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-4,4,4-trifluorobutanamide
CID 144928609
2-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]propanamide
CID 153568408
2-[1-[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclopropyl]acetamide
CID 164822160
(3R,5S)-3-[(6-aminopyridazin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 170340267

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide (CID 133419370) is 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide is NC(=O)C1CCCC1Nc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide?
The InChIKey is ZOZPDKFPTXDMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)8-4-5-9(18-17-8)16-7-3-1-2-6(7)10(15)19/h4-7H,1-3H2,(H2,15,19)(H,16,18).
What are the key properties of 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide?
2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 133419370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).