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

C6H8N6O — CID 135697276

IUPAC6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCCc1nnc2c(=O)[nH]c(N)nn12
InChIInChI=1S/C6H8N6O/c1-2-3-9-10-4-5(13)8-6(7)11-12(3)4/h2H2,1H3,(H3,7,8,11,13)
InChIKeyOJSOQDVYJHDHTA-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.04
Rot. Bonds1

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

6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 135697276) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID135697276
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCCc1nnc2c(=O)[nH]c(N)nn12
InChIInChI=1S/C6H8N6O/c1-2-3-9-10-4-5(13)8-6(7)11-12(3)4/h2H2,1H3,(H3,7,8,11,13)
InChIKeyOJSOQDVYJHDHTA-UHFFFAOYSA-N
XLogP-1.04
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 57033281
Lwcuuclcxzuorj-uhfffaoysa-
CID 135697275
5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 57268047
3-propan-2-yl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 140895694
3-Amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
CID 14270043
N-cyano-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 80368053
N-cyano-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 80368212
N-cyano-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 80368213
6-Amino-3-pentyl[1,2,4]triazolo[3,4-f][1,2,4]triazin-8(5H)-one
CID 135412666
6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 135475517
6-amino-3-hexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 135516639
3,6-diamino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 135697269

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 135697276) is 6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is CCc1nnc2c(=O)[nH]c(N)nn12.
What is the InChIKey of 6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is OJSOQDVYJHDHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-2-3-9-10-4-5(13)8-6(7)11-12(3)4/h2H2,1H3,(H3,7,8,11,13).
What are the key properties of 6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-amino-3-ethyl-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 -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 135697276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).