2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide

C20H18N6O2 — CID 7217846

IUPAC2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1
InChIInChI=1S/C20H18N6O2/c1-3-28-20-16(5-4-12-21-20)19(27)22-15-8-6-14(7-9-15)17-10-11-18-24-23-13(2)26(18)25-17/h4-12H,3H2,1-2H3,(H,22,27)
InChIKeyQHHAAZFESGTEQB-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.15
Rot. Bonds5

About 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide

2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide (PubChem CID 7217846) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
PubChem CID7217846
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1
InChIInChI=1S/C20H18N6O2/c1-3-28-20-16(5-4-12-21-20)19(27)22-15-8-6-14(7-9-15)17-10-11-18-24-23-13(2)26(18)25-17/h4-12H,3H2,1-2H3,(H,22,27)
InChIKeyQHHAAZFESGTEQB-UHFFFAOYSA-N
XLogP3.15
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide (CID 7217846) is 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is QHHAAZFESGTEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-3-28-20-16(5-4-12-21-20)19(27)22-15-8-6-14(7-9-15)17-10-11-18-24-23-13(2)26(18)25-17/h4-12H,3H2,1-2H3,(H,22,27).
What are the key properties of 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7217846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).