1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H16F3N7O — CID 71810968

IUPAC1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C14H16F3N7O/c15-14(16,17)7-19-13(25)10-3-5-23(6-4-10)11-1-2-12(22-21-11)24-9-18-8-20-24/h1-2,8-10H,3-7H2,(H,19,25)
InChIKeyJQBMMDSBTJZZOQ-UHFFFAOYSA-N
MW355.32 g/mol
LogP0.95
Rot. Bonds4

About 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 71810968) has the molecular formula C14H16F3N7O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID71810968
Molecular FormulaC14H16F3N7O
Molecular Weight355.32 g/mol
Exact Mass355.14
IUPAC Name1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C14H16F3N7O/c15-14(16,17)7-19-13(25)10-3-5-23(6-4-10)11-1-2-12(22-21-11)24-9-18-8-20-24/h1-2,8-10H,3-7H2,(H,19,25)
InChIKeyJQBMMDSBTJZZOQ-UHFFFAOYSA-N
XLogP0.95
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-isopropyl-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903699
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
CID 20903700
N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903705
N-(sec-butyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903680
N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903701
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29139269
N-(3-methylbutyl)-1-[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 29139783
1-(3-Isopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 39338572
N-propyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 46326813
3-Methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 53616179
1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 71810847
(4-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl)piperazin-1-yl)(cyclopropyl)methanone
CID 71810984

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 71810968) is 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is JQBMMDSBTJZZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N7O/c15-14(16,17)7-19-13(25)10-3-5-23(6-4-10)11-1-2-12(22-21-11)24-9-18-8-20-24/h1-2,8-10H,3-7H2,(H,19,25).
What are the key properties of 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 71810968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).