N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide

C17H19N7O2 — CID 5308707

IUPACN-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C17H19N7O2/c1-26-14-5-3-2-4-13(14)19-17(25)23-10-8-22(9-11-23)16-7-6-15-20-18-12-24(15)21-16/h2-7,12H,8-11H2,1H3,(H,19,25)
InChIKeyFBSFUSKKSLZVHK-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.49
Rot. Bonds3

About N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide (PubChem CID 5308707) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide
PubChem CID5308707
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C17H19N7O2/c1-26-14-5-3-2-4-13(14)19-17(25)23-10-8-22(9-11-23)16-7-6-15-20-18-12-24(15)21-16/h2-7,12H,8-11H2,1H3,(H,19,25)
InChIKeyFBSFUSKKSLZVHK-UHFFFAOYSA-N
XLogP1.49
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide (CID 5308707) is N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide?
The InChIKey is FBSFUSKKSLZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-26-14-5-3-2-4-13(14)19-17(25)23-10-8-22(9-11-23)16-7-6-15-20-18-12-24(15)21-16/h2-7,12H,8-11H2,1H3,(H,19,25).
What are the key properties of N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 5308707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).