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

C18H21N7O — CID 53189510

IUPACN-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2cnn3c(C)nnc3c2)CC1
InChIInChI=1S/C18H21N7O/c1-13-5-3-4-6-16(13)20-18(26)24-9-7-23(8-10-24)15-11-17-22-21-14(2)25(17)19-12-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,26)
InChIKeyDYXWRPZJLAOBJR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.10
Rot. Bonds2

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

N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide (PubChem CID 53189510) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
PubChem CID53189510
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2cnn3c(C)nnc3c2)CC1
InChIInChI=1S/C18H21N7O/c1-13-5-3-4-6-16(13)20-18(26)24-9-7-23(8-10-24)15-11-17-22-21-14(2)25(17)19-12-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,26)
InChIKeyDYXWRPZJLAOBJR-UHFFFAOYSA-N
XLogP2.10
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
CID 53189520
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 90507025
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 47001484
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62310905

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide (CID 53189510) is N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(c2cnn3c(C)nnc3c2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide?
The InChIKey is DYXWRPZJLAOBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-5-3-4-6-16(13)20-18(26)24-9-7-23(8-10-24)15-11-17-22-21-14(2)25(17)19-12-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,26).
What are the key properties of N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide?
N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53189510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).