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

C16H16N4O2 — CID 82370532

IUPAC2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol
SMILESCOc1ccc(-c2nnn(-c3cc(C)ccc3O)c2N)cc1
InChIInChI=1S/C16H16N4O2/c1-10-3-8-14(21)13(9-10)20-16(17)15(18-19-20)11-4-6-12(22-2)7-5-11/h3-9,21H,17H2,1-2H3
InChIKeyXCKKVIHXJPDNPP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.54
Rot. Bonds3

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

2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol (PubChem CID 82370532) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol
PubChem CID82370532
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol
SMILESCOc1ccc(-c2nnn(-c3cc(C)ccc3O)c2N)cc1
InChIInChI=1S/C16H16N4O2/c1-10-3-8-14(21)13(9-10)20-16(17)15(18-19-20)11-4-6-12(22-2)7-5-11/h3-9,21H,17H2,1-2H3
InChIKeyXCKKVIHXJPDNPP-UHFFFAOYSA-N
XLogP2.54
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82370611
3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370825
2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
CID 82370610
5-(4-methoxyphenyl)-3-methyltriazol-4-amine
CID 83638320
5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
CID 82370104
3-[2-chloro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)triazol-4-amine
CID 25154238
2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol
CID 82370639
3-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370354
5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine
CID 105491202
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol
CID 82370605
2-(4-methoxyphenyl)-6-methylpyridin-3-ol
CID 68887118

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol?
The IUPAC name of 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol (CID 82370532) is 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol.
What is the SMILES notation for 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol?
The canonical SMILES for 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol is COc1ccc(-c2nnn(-c3cc(C)ccc3O)c2N)cc1.
What is the InChIKey of 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol?
The InChIKey is XCKKVIHXJPDNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-3-8-14(21)13(9-10)20-16(17)15(18-19-20)11-4-6-12(22-2)7-5-11/h3-9,21H,17H2,1-2H3.
What are the key properties of 2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol?
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol has a molecular weight of 296.33 g/mol, XLogP of 2.54, 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]-4-methylphenol is sourced from PubChem (CID 82370532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).