3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

C10H8ClN7O — CID 104514014

IUPAC3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(Cc3ccc(Cl)nn3)nnc21
InChIInChI=1S/C10H8ClN7O/c1-17-9-7(4-12-17)10(19)18(16-15-9)5-6-2-3-8(11)14-13-6/h2-4H,5H2,1H3
InChIKeyUHRYECUIAIKQKT-UHFFFAOYSA-N
MW277.68 g/mol
LogP0.02
Rot. Bonds2

About 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 104514014) has the molecular formula C10H8ClN7O and a molecular weight of 277.68 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID104514014
Molecular FormulaC10H8ClN7O
Molecular Weight277.68 g/mol
Exact Mass277.05
IUPAC Name3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(Cc3ccc(Cl)nn3)nnc21
InChIInChI=1S/C10H8ClN7O/c1-17-9-7(4-12-17)10(19)18(16-15-9)5-6-2-3-8(11)14-13-6/h2-4H,5H2,1H3
InChIKeyUHRYECUIAIKQKT-UHFFFAOYSA-N
XLogP0.02
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80663299
3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80609361
3-[[3-(aminomethyl)-2-fluorophenyl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107113919
3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107347731
3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103934867
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513648
3-[(1-benzylimidazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513674
3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167874037
3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103744176
3-(9-bromononyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 105343168
1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one
CID 136513647
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80664214

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (CID 104514014) is 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is Cn1ncc2c(=O)n(Cc3ccc(Cl)nn3)nnc21.
What is the InChIKey of 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is UHRYECUIAIKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN7O/c1-17-9-7(4-12-17)10(19)18(16-15-9)5-6-2-3-8(11)14-13-6/h2-4H,5H2,1H3.
What are the key properties of 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 277.68 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 104514014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).