1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one

C6H7N5O — CID 596585

IUPAC1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
SMILESCc1nc2n(C)ncc(=O)n2n1
InChIInChI=1S/C6H7N5O/c1-4-8-6-10(2)7-3-5(12)11(6)9-4/h3H,1-2H3
InChIKeyRZFBFPUCNAYUDI-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.87
Rot. Bonds

About 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one

1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one (PubChem CID 596585) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
PubChem CID596585
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
SMILESCc1nc2n(C)ncc(=O)n2n1
InChIInChI=1S/C6H7N5O/c1-4-8-6-10(2)7-3-5(12)11(6)9-4/h3H,1-2H3
InChIKeyRZFBFPUCNAYUDI-UHFFFAOYSA-N
XLogP-0.87
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
The IUPAC name of 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one (CID 596585) is 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one is Cc1nc2n(C)ncc(=O)n2n1.
What is the InChIKey of 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
The InChIKey is RZFBFPUCNAYUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-4-8-6-10(2)7-3-5(12)11(6)9-4/h3H,1-2H3.
What are the key properties of 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one has a molecular weight of 165.16 g/mol, XLogP of -0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 596585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).