5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine

C17H18N4O — CID 82370104

IUPAC5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
SMILESCCc1ccc(-c2nnn(-c3ccc(OC)cc3)c2N)cc1
InChIInChI=1S/C17H18N4O/c1-3-12-4-6-13(7-5-12)16-17(18)21(20-19-16)14-8-10-15(22-2)11-9-14/h4-11H,3,18H2,1-2H3
InChIKeyMFXQYNZCKQVSGE-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.09
Rot. Bonds4

About 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine

5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine (PubChem CID 82370104) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
PubChem CID82370104
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
SMILESCCc1ccc(-c2nnn(-c3ccc(OC)cc3)c2N)cc1
InChIInChI=1S/C17H18N4O/c1-3-12-4-6-13(7-5-12)16-17(18)21(20-19-16)14-8-10-15(22-2)11-9-14/h4-11H,3,18H2,1-2H3
InChIKeyMFXQYNZCKQVSGE-UHFFFAOYSA-N
XLogP3.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
CID 82370111
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82370611
5-(4-methoxyphenyl)-3-methyltriazol-4-amine
CID 83638320
3-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370354
3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 53034271
5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine
CID 15998416
3-(4-bromophenyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 16833201
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 45499510
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol
CID 82370532
5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine
CID 166024360
5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine
CID 105491202

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine?
The IUPAC name of 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine (CID 82370104) is 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine is CCc1ccc(-c2nnn(-c3ccc(OC)cc3)c2N)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine?
The InChIKey is MFXQYNZCKQVSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-12-4-6-13(7-5-12)16-17(18)21(20-19-16)14-8-10-15(22-2)11-9-14/h4-11H,3,18H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine?
5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine has a molecular weight of 294.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 82370104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).