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

C16H16N4O2 — CID 82194969

IUPAC4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
SMILESCOc1ccc(-c2c(CN)nnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N4O2/c1-22-14-8-2-11(3-9-14)16-15(10-17)18-19-20(16)12-4-6-13(21)7-5-12/h2-9,21H,10,17H2,1H3
InChIKeyGSQQXDJDWKDAME-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.11
Rot. Bonds4

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

4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol (PubChem CID 82194969) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
PubChem CID82194969
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
SMILESCOc1ccc(-c2c(CN)nnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N4O2/c1-22-14-8-2-11(3-9-14)16-15(10-17)18-19-20(16)12-4-6-13(21)7-5-12/h2-9,21H,10,17H2,1H3
InChIKeyGSQQXDJDWKDAME-UHFFFAOYSA-N
XLogP2.11
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[4-(aminomethyl)-5-phenyltriazol-1-yl]benzoate
CID 94939721
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
1,5-bis(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937024
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
4-(chloromethyl)-1-(3-methoxyphenyl)-5-(4-methoxyphenyl)triazole
CID 56769684
[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 125478406
[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943636
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid
CID 94935955

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol?
The IUPAC name of 4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol (CID 82194969) is 4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol.
What is the SMILES notation for 4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol?
The canonical SMILES for 4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol is COc1ccc(-c2c(CN)nnn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol?
The InChIKey is GSQQXDJDWKDAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-14-8-2-11(3-9-14)16-15(10-17)18-19-20(16)12-4-6-13(21)7-5-12/h2-9,21H,10,17H2,1H3.
What are the key properties of 4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol?
4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol has a molecular weight of 296.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol is sourced from PubChem (CID 82194969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).