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

C9H9FN4 — CID 65362903

IUPAC(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ccc(F)cc1)c1ncn[nH]1
InChIInChI=1S/C9H9FN4/c10-7-3-1-6(2-4-7)8(11)9-12-5-13-14-9/h1-5,8H,11H2,(H,12,13,14)
InChIKeyYMYLNNQRZVJSSV-UHFFFAOYSA-N
MW192.20 g/mol
LogP0.99
Rot. Bonds2

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

(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65362903) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is (4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65362903
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ccc(F)cc1)c1ncn[nH]1
InChIInChI=1S/C9H9FN4/c10-7-3-1-6(2-4-7)8(11)9-12-5-13-14-9/h1-5,8H,11H2,(H,12,13,14)
InChIKeyYMYLNNQRZVJSSV-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-chlorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 96995614
(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362958
bis(4-fluorophenyl)methanamine
CID 10955039
(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 97052988
(4-fluorophenyl)-(1H-imidazol-2-yl)methanamine
CID 67419097
(2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 81231338
(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362959
2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362662
2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65362826
2,3-dihydro-1-benzofuran-5-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 104542596
2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 105373987
1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine
CID 107524497

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 65362903) is (4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine is NC(c1ccc(F)cc1)c1ncn[nH]1.
What is the InChIKey of (4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is YMYLNNQRZVJSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-7-3-1-6(2-4-7)8(11)9-12-5-13-14-9/h1-5,8H,11H2,(H,12,13,14).
What are the key properties of (4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 192.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65362903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).