5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine

C15H12F2N4O — CID 82370673

IUPAC5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine
SMILESCOc1ccccc1-n1nnc(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C15H12F2N4O/c1-22-13-5-3-2-4-12(13)21-15(18)14(19-20-21)10-8-9(16)6-7-11(10)17/h2-8H,18H2,1H3
InChIKeyYQIZQKQWKOYBEM-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.80
Rot. Bonds3

About 5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine

5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine (PubChem CID 82370673) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine
PubChem CID82370673
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine
SMILESCOc1ccccc1-n1nnc(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C15H12F2N4O/c1-22-13-5-3-2-4-12(13)21-15(18)14(19-20-21)10-8-9(16)6-7-11(10)17/h2-8H,18H2,1H3
InChIKeyYQIZQKQWKOYBEM-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

4-fluoro-2-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61351479
5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
CID 82370480
2-[5-amino-4-(2-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370417
5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
CID 82370481
2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
CID 82370610
3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 7470734
3-(2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369551
1-(2-methoxyphenyl)benzotriazole
CID 53415460
4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
5-[(1S)-1-(2,4-difluorophenyl)ethyl]sulfanyl-1-(2-methoxyphenyl)tetrazole
CID 52727611
[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate
CID 67041372
3-(2,4-difluorophenyl)-1-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4235305

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine?
The IUPAC name of 5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine (CID 82370673) is 5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine is COc1ccccc1-n1nnc(-c2cc(F)ccc2F)c1N.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine?
The InChIKey is YQIZQKQWKOYBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-22-13-5-3-2-4-12(13)21-15(18)14(19-20-21)10-8-9(16)6-7-11(10)17/h2-8H,18H2,1H3.
What are the key properties of 5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine?
5-(2,5-difluorophenyl)-3-(2-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-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 82370673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).