3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C17H15N7O — CID 146079132

IUPAC3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nnc(C)n3n2)n(-c2ccccc2)n1
InChIInChI=1S/C17H15N7O/c1-11-10-16(24(21-11)13-6-4-3-5-7-13)18-17(25)14-8-9-15-20-19-12(2)23(15)22-14/h3-10H,1-2H3,(H,18,25)
InChIKeyIRDXNMNRRDLYHD-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.18
Rot. Bonds3

About 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 146079132) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID146079132
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nnc(C)n3n2)n(-c2ccccc2)n1
InChIInChI=1S/C17H15N7O/c1-11-10-16(24(21-11)13-6-4-3-5-7-13)18-17(25)14-8-9-15-20-19-12(2)23(15)22-14/h3-10H,1-2H3,(H,18,25)
InChIKeyIRDXNMNRRDLYHD-UHFFFAOYSA-N
XLogP2.18
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
5-(4-chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 15988870
N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253077
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1494222
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
7-[chloro(difluoro)methyl]-N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2231058
2-[methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 56814566
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7845278

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 146079132) is 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is Cc1cc(NC(=O)c2ccc3nnc(C)n3n2)n(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is IRDXNMNRRDLYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-11-10-16(24(21-11)13-6-4-3-5-7-13)18-17(25)14-8-9-15-20-19-12(2)23(15)22-14/h3-10H,1-2H3,(H,18,25).
What are the key properties of 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 146079132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).