2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine

C11H14N6O — CID 1237001

IUPAC2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
SMILESCCOc1ccc(N2Nc3n[nH]c(N)c3N2)cc1
InChIInChI=1S/C11H14N6O/c1-2-18-8-5-3-7(4-6-8)17-15-9-10(12)13-14-11(9)16-17/h3-6,15H,2H2,1H3,(H4,12,13,14,16)
InChIKeyFUDDSTYMFRJTBK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.56
Rot. Bonds3

About 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine

2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine (PubChem CID 1237001) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
PubChem CID1237001
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
SMILESCCOc1ccc(N2Nc3n[nH]c(N)c3N2)cc1
InChIInChI=1S/C11H14N6O/c1-2-18-8-5-3-7(4-6-8)17-15-9-10(12)13-14-11(9)16-17/h3-6,15H,2H2,1H3,(H4,12,13,14,16)
InChIKeyFUDDSTYMFRJTBK-UHFFFAOYSA-N
XLogP1.56
TPSA91.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine (CID 1237001) is 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine is CCOc1ccc(N2Nc3n[nH]c(N)c3N2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
The InChIKey is FUDDSTYMFRJTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-18-8-5-3-7(4-6-8)17-15-9-10(12)13-14-11(9)16-17/h3-6,15H,2H2,1H3,(H4,12,13,14,16).
What are the key properties of 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine has a molecular weight of 246.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine is sourced from PubChem (CID 1237001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).