N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide

C19H23N7O — CID 53189520

IUPACN-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cnn4c(C)nnc4c3)CC2)c(C)c1
InChIInChI=1S/C19H23N7O/c1-13-4-5-17(14(2)10-13)21-19(27)25-8-6-24(7-9-25)16-11-18-23-22-15(3)26(18)20-12-16/h4-5,10-12H,6-9H2,1-3H3,(H,21,27)
InChIKeyXXEYZQGVJXGEOX-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.40
Rot. Bonds2

About N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide

N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide (PubChem CID 53189520) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
PubChem CID53189520
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cnn4c(C)nnc4c3)CC2)c(C)c1
InChIInChI=1S/C19H23N7O/c1-13-4-5-17(14(2)10-13)21-19(27)25-8-6-24(7-9-25)16-11-18-23-22-15(3)26(18)20-12-16/h4-5,10-12H,6-9H2,1-3H3,(H,21,27)
InChIKeyXXEYZQGVJXGEOX-UHFFFAOYSA-N
XLogP2.40
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
CID 53189510
4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23827340
4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111468
N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336021
methyl 3-[4-[(2,4-dimethylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111486
N-(2,4-dimethylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
CID 46335237
N-(2,4-dimethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921024
N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139007
N-(2,4-dimethylphenyl)-4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 121032031
N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111479
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide (CID 53189520) is N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3cnn4c(C)nnc4c3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide?
The InChIKey is XXEYZQGVJXGEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13-4-5-17(14(2)10-13)21-19(27)25-8-6-24(7-9-25)16-11-18-23-22-15(3)26(18)20-12-16/h4-5,10-12H,6-9H2,1-3H3,(H,21,27).
What are the key properties of N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide?
N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53189520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).