2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

C15H15ClN6O2 — CID 175788028

IUPAC2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(C(C(N)=O)c2ccc3nncn3c2)c(=O)cc1Cl
InChIInChI=1S/C15H15ClN6O2/c1-8(2)13-10(16)5-12(23)22(20-13)14(15(17)24)9-3-4-11-19-18-7-21(11)6-9/h3-8,14H,1-2H3,(H2,17,24)
InChIKeyCDUHHVPUVYWFTO-UHFFFAOYSA-N
MW346.78 g/mol
LogP1.14
Rot. Bonds4

About 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (PubChem CID 175788028) has the molecular formula C15H15ClN6O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
PubChem CID175788028
Molecular FormulaC15H15ClN6O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(C(C(N)=O)c2ccc3nncn3c2)c(=O)cc1Cl
InChIInChI=1S/C15H15ClN6O2/c1-8(2)13-10(16)5-12(23)22(20-13)14(15(17)24)9-3-4-11-19-18-7-21(11)6-9/h3-8,14H,1-2H3,(H2,17,24)
InChIKeyCDUHHVPUVYWFTO-UHFFFAOYSA-N
XLogP1.14
TPSA108.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (CID 175788028) is 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is CC(C)c1nn(C(C(N)=O)c2ccc3nncn3c2)c(=O)cc1Cl.
What is the InChIKey of 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The InChIKey is CDUHHVPUVYWFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2/c1-8(2)13-10(16)5-12(23)22(20-13)14(15(17)24)9-3-4-11-19-18-7-21(11)6-9/h3-8,14H,1-2H3,(H2,17,24).
What are the key properties of 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide has a molecular weight of 346.78 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 175788028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).