6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

C9H12N6O — CID 135475517

IUPAC6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCC/C=C/Cc1nnc2c(=O)[nH]c(N)nn12
InChIInChI=1S/C9H12N6O/c1-2-3-4-5-6-12-13-7-8(16)11-9(10)14-15(6)7/h3-4H,2,5H2,1H3,(H3,10,11,14,16)/b4-3+
InChIKeyABBNLTONZOIGBG-ONEGZZNKSA-N
MW220.24 g/mol
LogP-0.10
Rot. Bonds3

About 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 135475517) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID135475517
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCC/C=C/Cc1nnc2c(=O)[nH]c(N)nn12
InChIInChI=1S/C9H12N6O/c1-2-3-4-5-6-12-13-7-8(16)11-9(10)14-15(6)7/h3-4H,2,5H2,1H3,(H3,10,11,14,16)/b4-3+
InChIKeyABBNLTONZOIGBG-ONEGZZNKSA-N
XLogP-0.10
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 135475517) is 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is CC/C=C/Cc1nnc2c(=O)[nH]c(N)nn12.
What is the InChIKey of 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is ABBNLTONZOIGBG-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H12N6O/c1-2-3-4-5-6-12-13-7-8(16)11-9(10)14-15(6)7/h3-4H,2,5H2,1H3,(H3,10,11,14,16)/b4-3+.
What are the key properties of 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one has a molecular weight of 220.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(E)-pent-2-enyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 135475517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).