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

C16H16ClN7O — CID 40504628

IUPACN-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C16H16ClN7O/c17-12-1-3-13(4-2-12)19-16(25)23-9-7-22(8-10-23)15-6-5-14-20-18-11-24(14)21-15/h1-6,11H,7-10H2,(H,19,25)
InChIKeyZDXWENNHTOBFEW-UHFFFAOYSA-N
MW357.81 g/mol
LogP2.13
Rot. Bonds2

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

N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide (PubChem CID 40504628) has the molecular formula C16H16ClN7O and a molecular weight of 357.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide
PubChem CID40504628
Molecular FormulaC16H16ClN7O
Molecular Weight357.81 g/mol
Exact Mass357.11
IUPAC NameN-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C16H16ClN7O/c17-12-1-3-13(4-2-12)19-16(25)23-9-7-22(8-10-23)15-6-5-14-20-18-11-24(14)21-15/h1-6,11H,7-10H2,(H,19,25)
InChIKeyZDXWENNHTOBFEW-UHFFFAOYSA-N
XLogP2.13
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide (CID 40504628) is N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide?
The InChIKey is ZDXWENNHTOBFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O/c17-12-1-3-13(4-2-12)19-16(25)23-9-7-22(8-10-23)15-6-5-14-20-18-11-24(14)21-15/h1-6,11H,7-10H2,(H,19,25).
What are the key properties of N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide has a molecular weight of 357.81 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 40504628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).