[6-(trifluoromethyl)pyridazin-4-yl]methanamine

C6H6F3N3 — CID 82410670

IUPAC[6-(trifluoromethyl)pyridazin-4-yl]methanamine
SMILESNCc1cnnc(C(F)(F)F)c1
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-1-4(2-10)3-11-12-5/h1,3H,2,10H2
InChIKeyHKSPFPPRMLADEC-UHFFFAOYSA-N
MW177.13 g/mol
LogP0.95
Rot. Bonds1

About [6-(trifluoromethyl)pyridazin-4-yl]methanamine

[6-(trifluoromethyl)pyridazin-4-yl]methanamine (PubChem CID 82410670) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is [6-(trifluoromethyl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(trifluoromethyl)pyridazin-4-yl]methanamine
PubChem CID82410670
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name[6-(trifluoromethyl)pyridazin-4-yl]methanamine
SMILESNCc1cnnc(C(F)(F)F)c1
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-1-4(2-10)3-11-12-5/h1,3H,2,10H2
InChIKeyHKSPFPPRMLADEC-UHFFFAOYSA-N
XLogP0.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(trifluoromethyl)pyridazin-4-yl]ethanone
CID 155216321
[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine
CID 176908126
[3-(trifluoromethyl)-1,2-thiazol-5-yl]methanamine
CID 82372961
[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 118008047
[3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine
CID 144826575
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
6-(trifluoromethyl)-1,2,4-triazine
CID 90993457
2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 159348275
[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 106550477
2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
CID 155858331
[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine
CID 142361247
4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol
CID 137095446

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)pyridazin-4-yl]methanamine?
The IUPAC name of [6-(trifluoromethyl)pyridazin-4-yl]methanamine (CID 82410670) is [6-(trifluoromethyl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [6-(trifluoromethyl)pyridazin-4-yl]methanamine?
The canonical SMILES for [6-(trifluoromethyl)pyridazin-4-yl]methanamine is NCc1cnnc(C(F)(F)F)c1.
What is the InChIKey of [6-(trifluoromethyl)pyridazin-4-yl]methanamine?
The InChIKey is HKSPFPPRMLADEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-6(8,9)5-1-4(2-10)3-11-12-5/h1,3H,2,10H2.
What are the key properties of [6-(trifluoromethyl)pyridazin-4-yl]methanamine?
[6-(trifluoromethyl)pyridazin-4-yl]methanamine has a molecular weight of 177.13 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 82410670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).