6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine

C11H14ClF3N4 — CID 155594609

IUPAC6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine
SMILESFC(F)(F)c1nnc(Cl)cc1NCC1CCNCC1
InChIInChI=1S/C11H14ClF3N4/c12-9-5-8(10(19-18-9)11(13,14)15)17-6-7-1-3-16-4-2-7/h5,7,16H,1-4,6H2,(H,17,18)
InChIKeyZMIHMCMXUQQMGG-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.56
Rot. Bonds3

About 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine

6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine (PubChem CID 155594609) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine
PubChem CID155594609
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine
SMILESFC(F)(F)c1nnc(Cl)cc1NCC1CCNCC1
InChIInChI=1S/C11H14ClF3N4/c12-9-5-8(10(19-18-9)11(13,14)15)17-6-7-1-3-16-4-2-7/h5,7,16H,1-4,6H2,(H,17,18)
InChIKeyZMIHMCMXUQQMGG-UHFFFAOYSA-N
XLogP2.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-(piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 175303051
2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 107527336
4-bromo-N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 65483818
2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 79708126
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
6-fluoro-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 95929826
2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
CID 115054215
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
N-(azepan-4-ylmethyl)-2-chloroaniline
CID 84700952
6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 164599044
3-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97165073
N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 79707998

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine (CID 155594609) is 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine is FC(F)(F)c1nnc(Cl)cc1NCC1CCNCC1.
What is the InChIKey of 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine?
The InChIKey is ZMIHMCMXUQQMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c12-9-5-8(10(19-18-9)11(13,14)15)17-6-7-1-3-16-4-2-7/h5,7,16H,1-4,6H2,(H,17,18).
What are the key properties of 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine?
6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine has a molecular weight of 294.71 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine is sourced from PubChem (CID 155594609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).