N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide

C19H26F3N5O2 — CID 86597223

IUPACN-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)nn1
InChIInChI=1S/C19H26F3N5O2/c1-13(2)5-8-23-16(28)14-3-4-15(25-24-14)26-9-11-27(12-10-26)17(29)18(6-7-18)19(20,21)22/h3-4,13H,5-12H2,1-2H3,(H,23,28)
InChIKeyZBUZEZRPZOMTMK-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.24
Rot. Bonds6

About N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide

N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 86597223) has the molecular formula C19H26F3N5O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID86597223
Molecular FormulaC19H26F3N5O2
Molecular Weight413.44 g/mol
Exact Mass413.20
IUPAC NameN-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)nn1
InChIInChI=1S/C19H26F3N5O2/c1-13(2)5-8-23-16(28)14-3-4-15(25-24-14)26-9-11-27(12-10-26)17(29)18(6-7-18)19(20,21)22/h3-4,13H,5-12H2,1-2H3,(H,23,28)
InChIKeyZBUZEZRPZOMTMK-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-FLUORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11178786
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (4-CYCLOPROPYLBUTYL)AMIDE
CID 11178995
6-[4-(2,5-BIS-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11191545
6-[4-(4-FLUORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11202128
6-[4-(2-METHYLCYCLOHEXANECARBONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11338533
6-[4-(2-DIMETHYLAMINOBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11339214
6-[4-(3,3,3-TRIFLUORO-2-METHYL-2-TRIFLUOROMETHYLPROPIONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11442719
N-(2-cyclopropylethyl)-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 11487680
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-CYCLOPROPYLPROPYL)AMIDE
CID 11488029
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Pentylamide
CID 11698083
N-phenethyl-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 16035660
6-[4-(2-TRIFLUOROMETHYLBENZOYL)-PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-PHENYLPROPYL)AMIDE
CID 16035762

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide (CID 86597223) is N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)nn1.
What is the InChIKey of N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is ZBUZEZRPZOMTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N5O2/c1-13(2)5-8-23-16(28)14-3-4-15(25-24-14)26-9-11-27(12-10-26)17(29)18(6-7-18)19(20,21)22/h3-4,13H,5-12H2,1-2H3,(H,23,28).
What are the key properties of N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide?
N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 86597223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).