6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

C6H8N6O — CID 135504039

IUPAC6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCN(C)c1nn2cnnc2c(=O)[nH]1
InChIInChI=1S/C6H8N6O/c1-11(2)6-8-5(13)4-9-7-3-12(4)10-6/h3H,1-2H3,(H,8,10,13)
InChIKeyAQIHPPOASUAANW-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.12
Rot. Bonds1

About 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 135504039) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID135504039
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCN(C)c1nn2cnnc2c(=O)[nH]1
InChIInChI=1S/C6H8N6O/c1-11(2)6-8-5(13)4-9-7-3-12(4)10-6/h3H,1-2H3,(H,8,10,13)
InChIKeyAQIHPPOASUAANW-UHFFFAOYSA-N
XLogP-1.12
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino(1,2,4)triazolo(1,5-a)pyrazin-8(7H)-one
CID 335409
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
1-Methyl-1H-1,2,4-triazole-3-carbohydrazide
CID 142359614
1-Methyl-1H-1,2,4-triazole-5-carbohydrazide
CID 13568527
6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 135697273
1-Methyl-1H-1,2,4-triazole-5-carboxamide
CID 13568524
1-ethyl-1H-1,2,4-triazole-5-carboxamide
CID 13568525
1-Isopropyl-1H-1,2,4-triazole-5-carboxamide
CID 13568526
N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
CID 20242940
N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 20591092
1-Methyl-1H-1,2,4-triazole-3-carboxamide
CID 20651989

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 135504039) is 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is CN(C)c1nn2cnnc2c(=O)[nH]1.
What is the InChIKey of 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is AQIHPPOASUAANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-11(2)6-8-5(13)4-9-7-3-12(4)10-6/h3H,1-2H3,(H,8,10,13).
What are the key properties of 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one has a molecular weight of 180.17 g/mol, XLogP of -1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 135504039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).