N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C17H19N7OS — CID 32869701

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C17H19N7OS/c25-16(20-17-19-13(9-26-17)11-1-2-11)12-5-7-23(8-6-12)15-4-3-14-21-18-10-24(14)22-15/h3-4,9-12H,1-2,5-8H2,(H,19,20,25)
InChIKeyCRQWZALQLXGJOF-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.31
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 32869701) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID32869701
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C17H19N7OS/c25-16(20-17-19-13(9-26-17)11-1-2-11)12-5-7-23(8-6-12)15-4-3-14-21-18-10-24(14)22-15/h3-4,9-12H,1-2,5-8H2,(H,19,20,25)
InChIKeyCRQWZALQLXGJOF-UHFFFAOYSA-N
XLogP2.31
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439068
N-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29132243
N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 86925304
(2R)-3-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]butanoic acid
CID 119369237
N-(3-chloro-2-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134022752
N-(3-bromo-4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55579434
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55895430
N-(6-methylheptan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46577267
N-(2,3-dihydro-1H-inden-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134060258
N-(4-butylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439976
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55582989
N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55613145

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 32869701) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(Nc1nc(C2CC2)cs1)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is CRQWZALQLXGJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c25-16(20-17-19-13(9-26-17)11-1-2-11)12-5-7-23(8-6-12)15-4-3-14-21-18-10-24(14)22-15/h3-4,9-12H,1-2,5-8H2,(H,19,20,25).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 32869701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).