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

C20H19N7O2 — CID 134808011

IUPAC2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(-c3nnc4ccc(N(C)C)nn34)c2)c1
InChIInChI=1S/C20H19N7O2/c1-26(2)18-8-7-17-23-24-19(27(17)25-18)16-11-13(9-10-21-16)20(28)22-14-5-4-6-15(12-14)29-3/h4-12H,1-3H3,(H,22,28)
InChIKeyCMDFDNIAVVUNQA-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.51
Rot. Bonds5

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

2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 134808011) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
PubChem CID134808011
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(-c3nnc4ccc(N(C)C)nn34)c2)c1
InChIInChI=1S/C20H19N7O2/c1-26(2)18-8-7-17-23-24-19(27(17)25-18)16-11-13(9-10-21-16)20(28)22-14-5-4-6-15(12-14)29-3/h4-12H,1-3H3,(H,22,28)
InChIKeyCMDFDNIAVVUNQA-UHFFFAOYSA-N
XLogP2.51
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide (CID 134808011) is 2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide is COc1cccc(NC(=O)c2ccnc(-c3nnc4ccc(N(C)C)nn34)c2)c1.
What is the InChIKey of 2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is CMDFDNIAVVUNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-26(2)18-8-7-17-23-24-19(27(17)25-18)16-11-13(9-10-21-16)20(28)22-14-5-4-6-15(12-14)29-3/h4-12H,1-3H3,(H,22,28).
What are the key properties of 2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 134808011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).