[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine

C9H9FN4 — CID 50988710

IUPAC[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C9H9FN4/c10-7-3-1-6(2-4-7)9-12-8(5-11)13-14-9/h1-4H,5,11H2,(H,12,13,14)
InChIKeyKUSAGHHPLAXERW-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.07
Rot. Bonds2

About [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine

[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 50988710) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID50988710
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C9H9FN4/c10-7-3-1-6(2-4-7)9-12-8(5-11)13-14-9/h1-4H,5,11H2,(H,12,13,14)
InChIKeyKUSAGHHPLAXERW-UHFFFAOYSA-N
XLogP1.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
1H-1,2,4-Triazole, 5-phenyl-
CID 18786
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea
CID 222304
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
Mls003115328
CID 318161
5-(4-fluorophenyl)-4H-1,2,4-triazol-3-amine
CID 652295
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381
5-benzyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 2147143
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine
CID 2282389
5-(Heptafluoropropyl)-3-phenyl-1H-1,2,4-triazole
CID 10903073

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine (CID 50988710) is [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine is NCc1nc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is KUSAGHHPLAXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-7-3-1-6(2-4-7)9-12-8(5-11)13-14-9/h1-4H,5,11H2,(H,12,13,14).
What are the key properties of [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine?
[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 192.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 50988710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).