2-fluoro-4-(4-methyltriazol-1-yl)aniline

C9H9FN4 — CID 66545207

IUPAC2-fluoro-4-(4-methyltriazol-1-yl)aniline
SMILESCc1cn(-c2ccc(N)c(F)c2)nn1
InChIInChI=1S/C9H9FN4/c1-6-5-14(13-12-6)7-2-3-9(11)8(10)4-7/h2-5H,11H2,1H3
InChIKeyAVBBVLZILINETH-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.30
Rot. Bonds1

About 2-fluoro-4-(4-methyltriazol-1-yl)aniline

2-fluoro-4-(4-methyltriazol-1-yl)aniline (PubChem CID 66545207) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-fluoro-4-(4-methyltriazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(4-methyltriazol-1-yl)aniline
PubChem CID66545207
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name2-fluoro-4-(4-methyltriazol-1-yl)aniline
SMILESCc1cn(-c2ccc(N)c(F)c2)nn1
InChIInChI=1S/C9H9FN4/c1-6-5-14(13-12-6)7-2-3-9(11)8(10)4-7/h2-5H,11H2,1H3
InChIKeyAVBBVLZILINETH-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-1H-1,2,3-triazole
CID 270009
1-phenyl-1H-1,2,3-triazole-4-carbaldehyde oxime
CID 9559910
5-Methyl-1-(4-nitrophenyl)triazole
CID 781344
(1-phenyl-1H-1,2,3-triazol-4-yl)methanamine
CID 18526002
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)urea
CID 122455265
1-(2-Fluorophenyl)-3-[4-(4-isopentyltriazol-1-yl)phenyl]urea
CID 122455302
1-(3-Fluorophenyl)-3-[4-(4-isopentyltriazol-1-yl)phenyl]urea
CID 122455347
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-(2-fluorophenyl)urea
CID 122494828
1-phenyl-1H-1,2,3-triazol-4-amine
CID 22042185
4-(3-methyl-1H-pyrazol-1-yl)aniline
CID 350327
1-Phenyl-4-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]piperazine
CID 44412268
1-{[1-(4-Fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-4-phenylpiperazine
CID 46228565

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methyltriazol-1-yl)aniline?
The IUPAC name of 2-fluoro-4-(4-methyltriazol-1-yl)aniline (CID 66545207) is 2-fluoro-4-(4-methyltriazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-4-(4-methyltriazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-4-(4-methyltriazol-1-yl)aniline is Cc1cn(-c2ccc(N)c(F)c2)nn1.
What is the InChIKey of 2-fluoro-4-(4-methyltriazol-1-yl)aniline?
The InChIKey is AVBBVLZILINETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-6-5-14(13-12-6)7-2-3-9(11)8(10)4-7/h2-5H,11H2,1H3.
What are the key properties of 2-fluoro-4-(4-methyltriazol-1-yl)aniline?
2-fluoro-4-(4-methyltriazol-1-yl)aniline has a molecular weight of 192.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methyltriazol-1-yl)aniline is sourced from PubChem (CID 66545207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).