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

C9H14N6O — CID 171118023

IUPAC5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESCCN(CC)c1nc2nc(C)nn2c(=O)[nH]1
InChIInChI=1S/C9H14N6O/c1-4-14(5-2)7-11-8-10-6(3)13-15(8)9(16)12-7/h4-5H2,1-3H3,(H,10,11,12,13,16)
InChIKeyIXQCONNRPPEZHP-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.03
Rot. Bonds3

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

5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (PubChem CID 171118023) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.

Molecular Properties

Compound Name5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
PubChem CID171118023
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESCCN(CC)c1nc2nc(C)nn2c(=O)[nH]1
InChIInChI=1S/C9H14N6O/c1-4-14(5-2)7-11-8-10-6(3)13-15(8)9(16)12-7/h4-5H2,1-3H3,(H,10,11,12,13,16)
InChIKeyIXQCONNRPPEZHP-UHFFFAOYSA-N
XLogP-0.03
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The IUPAC name of 5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (CID 171118023) is 5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.
What is the SMILES notation for 5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The canonical SMILES for 5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is CCN(CC)c1nc2nc(C)nn2c(=O)[nH]1.
What is the InChIKey of 5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The InChIKey is IXQCONNRPPEZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-4-14(5-2)7-11-8-10-6(3)13-15(8)9(16)12-7/h4-5H2,1-3H3,(H,10,11,12,13,16).
What are the key properties of 5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one has a molecular weight of 222.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-methyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is sourced from PubChem (CID 171118023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).