5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one

C6H7N5O — CID 71336771

IUPAC5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one
SMILESCc1nc2n[nH]c(=O)nc2n1C
InChIInChI=1S/C6H7N5O/c1-3-7-4-5(11(3)2)8-6(12)10-9-4/h1-2H3,(H,8,10,12)
InChIKeyYMDPJPATXPBTGF-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.64
Rot. Bonds

About 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one

5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one (PubChem CID 71336771) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one.

Molecular Properties

Compound Name5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one
PubChem CID71336771
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one
SMILESCc1nc2n[nH]c(=O)nc2n1C
InChIInChI=1S/C6H7N5O/c1-3-7-4-5(11(3)2)8-6(12)10-9-4/h1-2H3,(H,8,10,12)
InChIKeyYMDPJPATXPBTGF-UHFFFAOYSA-N
XLogP-0.64
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one?
The IUPAC name of 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one (CID 71336771) is 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one.
What is the SMILES notation for 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one?
The canonical SMILES for 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one is Cc1nc2n[nH]c(=O)nc2n1C.
What is the InChIKey of 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one?
The InChIKey is YMDPJPATXPBTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-3-7-4-5(11(3)2)8-6(12)10-9-4/h1-2H3,(H,8,10,12).
What are the key properties of 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one?
5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one has a molecular weight of 165.16 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2H-imidazo[4,5-e][1,2,4]triazin-3-one is sourced from PubChem (CID 71336771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).