2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide

C18H16ClN7O2 — CID 163218915

IUPAC2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
SMILESCC(C)n1nc(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C18H16ClN7O2/c1-10(2)26-14-7-11(19)3-4-12(14)18(28)13(23-26)8-17(27)21-15-5-6-16-22-20-9-25(16)24-15/h3-7,9-10H,8H2,1-2H3,(H,21,24,27)
InChIKeyQMTWUSMDOGGVSA-UHFFFAOYSA-N
MW397.83 g/mol
LogP2.25
Rot. Bonds4

About 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide

2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide (PubChem CID 163218915) has the molecular formula C18H16ClN7O2 and a molecular weight of 397.83 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
PubChem CID163218915
Molecular FormulaC18H16ClN7O2
Molecular Weight397.83 g/mol
Exact Mass397.11
IUPAC Name2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
SMILESCC(C)n1nc(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C18H16ClN7O2/c1-10(2)26-14-7-11(19)3-4-12(14)18(28)13(23-26)8-17(27)21-15-5-6-16-22-20-9-25(16)24-15/h3-7,9-10H,8H2,1-2H3,(H,21,24,27)
InChIKeyQMTWUSMDOGGVSA-UHFFFAOYSA-N
XLogP2.25
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
CID 163219185
2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 163219141
2-(7-bromo-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid
CID 163204502
2-(4-chloro-9-oxo-12-propan-2-yl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 170983129
2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 164914340
2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16821295
2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 172632649
2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16872792
5-chloro-1-propan-2-yl-3-propylindazole
CID 66838271
4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
3-amino-6-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-1-carboxamide
CID 151755741
N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 71828990

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
The IUPAC name of 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide (CID 163218915) is 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide is CC(C)n1nc(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
The InChIKey is QMTWUSMDOGGVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O2/c1-10(2)26-14-7-11(19)3-4-12(14)18(28)13(23-26)8-17(27)21-15-5-6-16-22-20-9-25(16)24-15/h3-7,9-10H,8H2,1-2H3,(H,21,24,27).
What are the key properties of 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide has a molecular weight of 397.83 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide is sourced from PubChem (CID 163218915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).