3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one

C9H11N5O3 — CID 107507832

IUPAC3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCOCC(=O)Cn1nnc2c(cnn2C)c1=O
InChIInChI=1S/C9H11N5O3/c1-13-8-7(3-10-13)9(16)14(12-11-8)4-6(15)5-17-2/h3H,4-5H2,1-2H3
InChIKeyJAVRFQSDHWSTJK-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.26
Rot. Bonds4

About 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one

3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 107507832) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID107507832
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCOCC(=O)Cn1nnc2c(cnn2C)c1=O
InChIInChI=1S/C9H11N5O3/c1-13-8-7(3-10-13)9(16)14(12-11-8)4-6(15)5-17-2/h3H,4-5H2,1-2H3
InChIKeyJAVRFQSDHWSTJK-UHFFFAOYSA-N
XLogP-1.26
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513641
3-[2-(4-butoxyphenyl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 100634454
3-(9-bromononyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 105343168
3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103934867
3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103744176
3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 104753332
3-[2-(2,3-difluorophenyl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167822338
3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 104514014
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
7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one
CID 102819861
3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107347731

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one (CID 107507832) is 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one is COCC(=O)Cn1nnc2c(cnn2C)c1=O.
What is the InChIKey of 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is JAVRFQSDHWSTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-13-8-7(3-10-13)9(16)14(12-11-8)4-6(15)5-17-2/h3H,4-5H2,1-2H3.
What are the key properties of 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 237.22 g/mol, XLogP of -1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 107507832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).