6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one

C10H8N4O — CID 13185782

IUPAC6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
SMILESCc1nn2c(=O)[nH]nc2c2ccccc12
InChIInChI=1S/C10H8N4O/c1-6-7-4-2-3-5-8(7)9-11-12-10(15)14(9)13-6/h2-5H,1H3,(H,12,15)
InChIKeyNHQUYNOYSXFTIM-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.88
Rot. Bonds

About 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one

6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one (PubChem CID 13185782) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one.

Molecular Properties

Compound Name6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
PubChem CID13185782
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
SMILESCc1nn2c(=O)[nH]nc2c2ccccc12
InChIInChI=1S/C10H8N4O/c1-6-7-4-2-3-5-8(7)9-11-12-10(15)14(9)13-6/h2-5H,1H3,(H,12,15)
InChIKeyNHQUYNOYSXFTIM-UHFFFAOYSA-N
XLogP0.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
CID 23875751
3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 13185783
8-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11-hexaen-14-one
CID 10823939
8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 117063091
2-amino-4-methylphthalazin-1-one;4-methyl-2H-phthalazin-1-one
CID 67216012
4-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)butanoic acid
CID 82167258
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281485
7,8-dimethyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 147193497
N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
CID 4910545
ethane;6-(3-hydroxypropyl)-2H-[1,2,4]triazolo[3,4-a]isoquinolin-3-one
CID 90696336
3,4,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,7,10,12-pentaen-5-one
CID 68658828
4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one
CID 19898934

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The IUPAC name of 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one (CID 13185782) is 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one.
What is the SMILES notation for 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The canonical SMILES for 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one is Cc1nn2c(=O)[nH]nc2c2ccccc12.
What is the InChIKey of 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The InChIKey is NHQUYNOYSXFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-6-7-4-2-3-5-8(7)9-11-12-10(15)14(9)13-6/h2-5H,1H3,(H,12,15).
What are the key properties of 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one has a molecular weight of 200.20 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one is sourced from PubChem (CID 13185782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).