2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol

C15H14N4O2 — CID 82370611

IUPAC2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
SMILESCOc1ccc(-c2nnn(-c3ccccc3O)c2N)cc1
InChIInChI=1S/C15H14N4O2/c1-21-11-8-6-10(7-9-11)14-15(16)19(18-17-14)12-4-2-3-5-13(12)20/h2-9,20H,16H2,1H3
InChIKeyKPBWRYVAHUORFU-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.23
Rot. Bonds3

About 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol

2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol (PubChem CID 82370611) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
PubChem CID82370611
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
SMILESCOc1ccc(-c2nnn(-c3ccccc3O)c2N)cc1
InChIInChI=1S/C15H14N4O2/c1-21-11-8-6-10(7-9-11)14-15(16)19(18-17-14)12-4-2-3-5-13(12)20/h2-9,20H,16H2,1H3
InChIKeyKPBWRYVAHUORFU-UHFFFAOYSA-N
XLogP2.23
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol?
The IUPAC name of 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol (CID 82370611) is 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol.
What is the SMILES notation for 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol?
The canonical SMILES for 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol is COc1ccc(-c2nnn(-c3ccccc3O)c2N)cc1.
What is the InChIKey of 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol?
The InChIKey is KPBWRYVAHUORFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-11-8-6-10(7-9-11)14-15(16)19(18-17-14)12-4-2-3-5-13(12)20/h2-9,20H,16H2,1H3.
What are the key properties of 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol?
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol has a molecular weight of 282.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol is sourced from PubChem (CID 82370611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).