5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine

C16H17N5O — CID 10851400

IUPAC5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine
SMILESCOc1ccccc1CNc1nc(N)nn1-c1ccccc1
InChIInChI=1S/C16H17N5O/c1-22-14-10-6-5-7-12(14)11-18-16-19-15(17)20-21(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H3,17,18,19,20)
InChIKeyFVJXQUBAADVXDR-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.47
Rot. Bonds5

About 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine

5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine (PubChem CID 10851400) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine
PubChem CID10851400
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine
SMILESCOc1ccccc1CNc1nc(N)nn1-c1ccccc1
InChIInChI=1S/C16H17N5O/c1-22-14-10-6-5-7-12(14)11-18-16-19-15(17)20-21(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H3,17,18,19,20)
InChIKeyFVJXQUBAADVXDR-UHFFFAOYSA-N
XLogP2.47
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine (CID 10851400) is 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine is COc1ccccc1CNc1nc(N)nn1-c1ccccc1.
What is the InChIKey of 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine?
The InChIKey is FVJXQUBAADVXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-22-14-10-6-5-7-12(14)11-18-16-19-15(17)20-21(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H3,17,18,19,20).
What are the key properties of 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine?
5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine has a molecular weight of 295.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 10851400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).