3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

C14H10N4O — CID 1243399

IUPAC3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3ccco3)nnc2c2ccccc12
InChIInChI=1S/C14H10N4O/c1-9-10-5-2-3-6-11(10)13-15-16-14(18(13)17-9)12-7-4-8-19-12/h2-8H,1H3
InChIKeyXSLFSXKVSJKWDI-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.85
Rot. Bonds1

About 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 1243399) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID1243399
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3ccco3)nnc2c2ccccc12
InChIInChI=1S/C14H10N4O/c1-9-10-5-2-3-6-11(10)13-15-16-14(18(13)17-9)12-7-4-8-19-12/h2-8H,1H3
InChIKeyXSLFSXKVSJKWDI-UHFFFAOYSA-N
XLogP2.85
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 1243399) is 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nn2c(-c3ccco3)nnc2c2ccccc12.
What is the InChIKey of 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is XSLFSXKVSJKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-9-10-5-2-3-6-11(10)13-15-16-14(18(13)17-9)12-7-4-8-19-12/h2-8H,1H3.
What are the key properties of 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 250.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 1243399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).