N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C18H20N6O3 — CID 126771557

IUPACN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)ccc1=O
InChIInChI=1S/C18H20N6O3/c1-27-10-9-24-16(25)8-6-14(22-24)18(26)19-13-5-7-15-20-21-17(23(15)11-13)12-3-2-4-12/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,26)
InChIKeyGOHWWLYAEQRFFN-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.45
Rot. Bonds6

About N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 126771557) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID126771557
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)ccc1=O
InChIInChI=1S/C18H20N6O3/c1-27-10-9-24-16(25)8-6-14(22-24)18(26)19-13-5-7-15-20-21-17(23(15)11-13)12-3-2-4-12/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,26)
InChIKeyGOHWWLYAEQRFFN-UHFFFAOYSA-N
XLogP1.45
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 126771557) is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)ccc1=O.
What is the InChIKey of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is GOHWWLYAEQRFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-27-10-9-24-16(25)8-6-14(22-24)18(26)19-13-5-7-15-20-21-17(23(15)11-13)12-3-2-4-12/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,26).
What are the key properties of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 126771557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).