6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile

C14H11F3N4O — CID 133433734

IUPAC6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)nn1
InChIInChI=1S/C14H11F3N4O/c1-21(13-7-4-11(8-18)19-20-13)9-10-2-5-12(6-3-10)22-14(15,16)17/h2-7H,9H2,1H3
InChIKeySLQJAVRADRGBSD-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.88
Rot. Bonds4

About 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile

6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile (PubChem CID 133433734) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile
PubChem CID133433734
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)nn1
InChIInChI=1S/C14H11F3N4O/c1-21(13-7-4-11(8-18)19-20-13)9-10-2-5-12(6-3-10)22-14(15,16)17/h2-7H,9H2,1H3
InChIKeySLQJAVRADRGBSD-UHFFFAOYSA-N
XLogP2.88
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile
CID 133421291
6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile
CID 133446107
6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418515
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133488581
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine
CID 133362551
4-cyano-N-[(E)-1,2-diamino-2-[4-[[N-methyl-4-(trifluoromethoxy)anilino]methyl]phenyl]ethenyl]benzenesulfonamide
CID 162603854
N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 66848441
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 62010342
N-methyl-5-(trifluoromethoxy)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 133490362

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile (CID 133433734) is 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile is CN(Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)nn1.
What is the InChIKey of 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile?
The InChIKey is SLQJAVRADRGBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-21(13-7-4-11(8-18)19-20-13)9-10-2-5-12(6-3-10)22-14(15,16)17/h2-7H,9H2,1H3.
What are the key properties of 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile?
6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile has a molecular weight of 308.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133433734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).