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

C10H12N6O — CID 5142024

IUPAC2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
SMILESCOc1ccc(N2Nc3n[nH]c(N)c3N2)cc1
InChIInChI=1S/C10H12N6O/c1-17-7-4-2-6(3-5-7)16-14-8-9(11)12-13-10(8)15-16/h2-5,14H,1H3,(H4,11,12,13,15)
InChIKeyKQEXOFJWJXAQLH-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.17
Rot. Bonds2

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

2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine (PubChem CID 5142024) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
PubChem CID5142024
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
SMILESCOc1ccc(N2Nc3n[nH]c(N)c3N2)cc1
InChIInChI=1S/C10H12N6O/c1-17-7-4-2-6(3-5-7)16-14-8-9(11)12-13-10(8)15-16/h2-5,14H,1H3,(H4,11,12,13,15)
InChIKeyKQEXOFJWJXAQLH-UHFFFAOYSA-N
XLogP1.17
TPSA91.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
The IUPAC name of 2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine (CID 5142024) is 2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine is COc1ccc(N2Nc3n[nH]c(N)c3N2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
The InChIKey is KQEXOFJWJXAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-17-7-4-2-6(3-5-7)16-14-8-9(11)12-13-10(8)15-16/h2-5,14H,1H3,(H4,11,12,13,15).
What are the key properties of 2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine?
2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine has a molecular weight of 232.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine is sourced from PubChem (CID 5142024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).