3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile

C12H7F3N4 — CID 80509175

IUPAC3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H7F3N4/c13-12(14,15)9-3-1-2-4-10(9)18-11-8(7-16)5-6-17-19-11/h1-6H,(H,18,19)
InChIKeyLRCJQWDNYVIOTI-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.11
Rot. Bonds2

About 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile

3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile (PubChem CID 80509175) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
PubChem CID80509175
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H7F3N4/c13-12(14,15)9-3-1-2-4-10(9)18-11-8(7-16)5-6-17-19-11/h1-6H,(H,18,19)
InChIKeyLRCJQWDNYVIOTI-UHFFFAOYSA-N
XLogP3.11
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[2-(trifluoromethyl)anilino]-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112968192
3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile
CID 80509315
5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
CID 107926853
3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
CID 80515387
3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile
CID 113297690
3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80510445
[2-(trifluoromethyl)phenyl]cyanamide
CID 12503114
3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80509239
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
3-[(2-bromophenyl)methylamino]pyridazine-4-carbonitrile
CID 80510383
3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509735

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile (CID 80509175) is 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile is N#Cc1ccnnc1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile?
The InChIKey is LRCJQWDNYVIOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)9-3-1-2-4-10(9)18-11-8(7-16)5-6-17-19-11/h1-6H,(H,18,19).
What are the key properties of 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile?
3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).