5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine

C15H12F2N4O — CID 82370298

IUPAC5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
SMILESCOc1cccc(-n2nnc(-c3ccc(F)c(F)c3)c2N)c1
InChIInChI=1S/C15H12F2N4O/c1-22-11-4-2-3-10(8-11)21-15(18)14(19-20-21)9-5-6-12(16)13(17)7-9/h2-8H,18H2,1H3
InChIKeyRTBRMPKNPLLGAF-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.80
Rot. Bonds3

About 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine

5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine (PubChem CID 82370298) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
PubChem CID82370298
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
SMILESCOc1cccc(-n2nnc(-c3ccc(F)c(F)c3)c2N)c1
InChIInChI=1S/C15H12F2N4O/c1-22-11-4-2-3-10(8-11)21-15(18)14(19-20-21)9-5-6-12(16)13(17)7-9/h2-8H,18H2,1H3
InChIKeyRTBRMPKNPLLGAF-UHFFFAOYSA-N
XLogP2.80
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
CID 82370705
3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine
CID 82370290
5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
CID 2053193
3-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370354
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine
CID 82370798
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
3-(3-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370249
3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
CID 82370111
1-[3-[5-amino-4-(4-fluorophenyl)triazol-1-yl]phenyl]ethanone
CID 82370547
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine (CID 82370298) is 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine is COc1cccc(-n2nnc(-c3ccc(F)c(F)c3)c2N)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine?
The InChIKey is RTBRMPKNPLLGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-22-11-4-2-3-10(8-11)21-15(18)14(19-20-21)9-5-6-12(16)13(17)7-9/h2-8H,18H2,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine?
5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine has a molecular weight of 302.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 82370298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).