5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one

C7H10N6O — CID 171118006

IUPAC5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESCc1nc2nc(N(C)C)[nH]c(=O)n2n1
InChIInChI=1S/C7H10N6O/c1-4-8-6-9-5(12(2)3)10-7(14)13(6)11-4/h1-3H3,(H,8,9,10,11,14)
InChIKeyCXKUCCWGDPSTKF-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.81
Rot. Bonds1

About 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one

5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (PubChem CID 171118006) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
PubChem CID171118006
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESCc1nc2nc(N(C)C)[nH]c(=O)n2n1
InChIInChI=1S/C7H10N6O/c1-4-8-6-9-5(12(2)3)10-7(14)13(6)11-4/h1-3H3,(H,8,9,10,11,14)
InChIKeyCXKUCCWGDPSTKF-UHFFFAOYSA-N
XLogP-0.81
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The IUPAC name of 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (CID 171118006) is 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.
What is the SMILES notation for 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The canonical SMILES for 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is Cc1nc2nc(N(C)C)[nH]c(=O)n2n1.
What is the InChIKey of 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The InChIKey is CXKUCCWGDPSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-4-8-6-9-5(12(2)3)10-7(14)13(6)11-4/h1-3H3,(H,8,9,10,11,14).
What are the key properties of 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one has a molecular weight of 194.20 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is sourced from PubChem (CID 171118006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).