3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

C15H11F2N7O — CID 167874037

IUPAC3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(Cc3ccn(-c4ccc(F)cc4F)n3)nnc21
InChIInChI=1S/C15H11F2N7O/c1-22-14-11(7-18-22)15(25)24(21-19-14)8-10-4-5-23(20-10)13-3-2-9(16)6-12(13)17/h2-7H,8H2,1H3
InChIKeyNYGLLCMUCBMUBP-UHFFFAOYSA-N
MW343.30 g/mol
LogP1.04
Rot. Bonds3

About 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 167874037) has the molecular formula C15H11F2N7O and a molecular weight of 343.30 g/mol. Its IUPAC name is 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID167874037
Molecular FormulaC15H11F2N7O
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Name3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(Cc3ccn(-c4ccc(F)cc4F)n3)nnc21
InChIInChI=1S/C15H11F2N7O/c1-22-14-11(7-18-22)15(25)24(21-19-14)8-10-4-5-23(20-10)13-3-2-9(16)6-12(13)17/h2-7H,8H2,1H3
InChIKeyNYGLLCMUCBMUBP-UHFFFAOYSA-N
XLogP1.04
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methyl-3-nitropyrazole
CID 99840086
5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 163355192
3-[2-(2,3-difluorophenyl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167822338
3-[(1-benzylimidazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513674
(3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide
CID 154745401
3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80609361
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
7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one
CID 1444323
[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120966633

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (CID 167874037) is 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is Cn1ncc2c(=O)n(Cc3ccn(-c4ccc(F)cc4F)n3)nnc21.
What is the InChIKey of 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is NYGLLCMUCBMUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N7O/c1-22-14-11(7-18-22)15(25)24(21-19-14)8-10-4-5-23(20-10)13-3-2-9(16)6-12(13)17/h2-7H,8H2,1H3.
What are the key properties of 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 343.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 167874037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).