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

C10H11FN4 — CID 65362958

IUPAC(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ncn[nH]1
InChIInChI=1S/C10H11FN4/c1-6-4-7(11)2-3-8(6)9(12)10-13-5-14-15-10/h2-5,9H,12H2,1H3,(H,13,14,15)
InChIKeyOZCSKIKEUZBVTI-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.30
Rot. Bonds2

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

(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65362958) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65362958
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ncn[nH]1
InChIInChI=1S/C10H11FN4/c1-6-4-7(11)2-3-8(6)9(12)10-13-5-14-15-10/h2-5,9H,12H2,1H3,(H,13,14,15)
InChIKeyOZCSKIKEUZBVTI-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362959
2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 105373987
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(4-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105142831
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362662
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
N-[2-(4-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114347986
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106691945
(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 81278716
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 65362958) is (4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine is Cc1cc(F)ccc1C(N)c1ncn[nH]1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is OZCSKIKEUZBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-6-4-7(11)2-3-8(6)9(12)10-13-5-14-15-10/h2-5,9H,12H2,1H3,(H,13,14,15).
What are the key properties of (4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65362958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).