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

C4H4N6O — CID 135697273

IUPAC6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESNc1nn2cnnc2c(=O)[nH]1
InChIInChI=1S/C4H4N6O/c5-4-7-3(11)2-8-6-1-10(2)9-4/h1H,(H3,5,7,9,11)
InChIKeyYLGKIQDYHYLMSX-UHFFFAOYSA-N
MW152.12 g/mol
LogP-1.61
Rot. Bonds

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

6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 135697273) has the molecular formula C4H4N6O and a molecular weight of 152.12 g/mol. Its IUPAC name is 6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID135697273
Molecular FormulaC4H4N6O
Molecular Weight152.12 g/mol
Exact Mass152.04
IUPAC Name6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESNc1nn2cnnc2c(=O)[nH]1
InChIInChI=1S/C4H4N6O/c5-4-7-3(11)2-8-6-1-10(2)9-4/h1H,(H3,5,7,9,11)
InChIKeyYLGKIQDYHYLMSX-UHFFFAOYSA-N
XLogP-1.61
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,4-Triazole-3-carboxamide
CID 65125
2-(3-cyano-1H-1,2,4-triazol-1-yl)acetamide
CID 47003260
6-Amino(1,2,4)triazolo(1,5-a)pyrazin-8(7H)-one
CID 335409
Lwcuuclcxzuorj-uhfffaoysa-
CID 135697275
1-Methyl-1H-1,2,4-triazole-3-carbohydrazide
CID 142359614
1-Methyl-1H-1,2,4-triazole-5-carbohydrazide
CID 13568527
1-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 152355701
6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 135504039
1-Methyl-1H-1,2,4-triazole-5-carboxamide
CID 13568524
1-ethyl-1H-1,2,4-triazole-5-carboxamide
CID 13568525
N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 20242925
1-Methyl-1H-1,2,4-triazole-3-carboxamide
CID 20651989

Frequently Asked Questions

What is the IUPAC name of 6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 135697273) is 6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is Nc1nn2cnnc2c(=O)[nH]1.
What is the InChIKey of 6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is YLGKIQDYHYLMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6O/c5-4-7-3(11)2-8-6-1-10(2)9-4/h1H,(H3,5,7,9,11).
What are the key properties of 6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one has a molecular weight of 152.12 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 135697273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).