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

C13H10N6O2S — CID 136513648

IUPAC3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(Cc3csc(-c4ccco4)n3)nnc21
InChIInChI=1S/C13H10N6O2S/c1-18-11-9(5-14-18)13(20)19(17-16-11)6-8-7-22-12(15-8)10-3-2-4-21-10/h2-5,7H,6H2,1H3
InChIKeyWFNHSJZMPNVCKO-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.29
Rot. Bonds3

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

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 136513648) has the molecular formula C13H10N6O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID136513648
Molecular FormulaC13H10N6O2S
Molecular Weight314.33 g/mol
Exact Mass314.06
IUPAC Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(Cc3csc(-c4ccco4)n3)nnc21
InChIInChI=1S/C13H10N6O2S/c1-18-11-9(5-14-18)13(20)19(17-16-11)6-8-7-22-12(15-8)10-3-2-4-21-10/h2-5,7H,6H2,1H3
InChIKeyWFNHSJZMPNVCKO-UHFFFAOYSA-N
XLogP1.29
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (CID 136513648) is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is Cn1ncc2c(=O)n(Cc3csc(-c4ccco4)n3)nnc21.
What is the InChIKey of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is WFNHSJZMPNVCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2S/c1-18-11-9(5-14-18)13(20)19(17-16-11)6-8-7-22-12(15-8)10-3-2-4-21-10/h2-5,7H,6H2,1H3.
What are the key properties of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 314.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 136513648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).