3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine

C16H16N4O2 — CID 10851455

IUPAC3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine
SMILESCOc1ccc(-c2nnc(-c3ccc(OC)cc3)n2N)cc1
InChIInChI=1S/C16H16N4O2/c1-21-13-7-3-11(4-8-13)15-18-19-16(20(15)17)12-5-9-14(22-2)10-6-12/h3-10H,17H2,1-2H3
InChIKeyIOJBFNDOWJEKLP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.34
Rot. Bonds4

About 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine

3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine (PubChem CID 10851455) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine
PubChem CID10851455
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine
SMILESCOc1ccc(-c2nnc(-c3ccc(OC)cc3)n2N)cc1
InChIInChI=1S/C16H16N4O2/c1-21-13-7-3-11(4-8-13)15-18-19-16(20(15)17)12-5-9-14(22-2)10-6-12/h3-10H,17H2,1-2H3
InChIKeyIOJBFNDOWJEKLP-UHFFFAOYSA-N
XLogP2.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine (CID 10851455) is 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine is COc1ccc(-c2nnc(-c3ccc(OC)cc3)n2N)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine?
The InChIKey is IOJBFNDOWJEKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-13-7-3-11(4-8-13)15-18-19-16(20(15)17)12-5-9-14(22-2)10-6-12/h3-10H,17H2,1-2H3.
What are the key properties of 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine?
3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine has a molecular weight of 296.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 10851455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).