2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

C18H21N7O3 — CID 170557212

IUPAC2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCN(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1OCC1CC1
InChIInChI=1S/C18H21N7O3/c1-23(2)18-14(28-10-12-3-4-12)7-17(27)25(22-18)9-16(26)20-13-5-6-15-21-19-11-24(15)8-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,26)
InChIKeyMCJUXMGBAYACOF-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.78
Rot. Bonds7

About 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (PubChem CID 170557212) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
PubChem CID170557212
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCN(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1OCC1CC1
InChIInChI=1S/C18H21N7O3/c1-23(2)18-14(28-10-12-3-4-12)7-17(27)25(22-18)9-16(26)20-13-5-6-15-21-19-11-24(15)8-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,26)
InChIKeyMCJUXMGBAYACOF-UHFFFAOYSA-N
XLogP0.78
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (CID 170557212) is 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is CN(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1OCC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The InChIKey is MCJUXMGBAYACOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-23(2)18-14(28-10-12-3-4-12)7-17(27)25(22-18)9-16(26)20-13-5-6-15-21-19-11-24(15)8-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,26).
What are the key properties of 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide has a molecular weight of 383.41 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 170557212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).