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

C15H12F2N4 — CID 97287100

IUPAC(R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESN[C@H](c1ccc(F)cc1)c1nc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C15H12F2N4/c16-10-7-5-9(6-8-10)13(18)15-19-14(20-21-15)11-3-1-2-4-12(11)17/h1-8,13H,18H2,(H,19,20,21)/t13-/m1/s1
InChIKeyHGKWBVVXBCLVAX-CYBMUJFWSA-N
MW286.29 g/mol
LogP2.80
Rot. Bonds3

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

(R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 97287100) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name(R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID97287100
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name(R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESN[C@H](c1ccc(F)cc1)c1nc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C15H12F2N4/c16-10-7-5-9(6-8-10)13(18)15-19-14(20-21-15)11-3-1-2-4-12(11)17/h1-8,13H,18H2,(H,19,20,21)/t13-/m1/s1
InChIKeyHGKWBVVXBCLVAX-CYBMUJFWSA-N
XLogP2.80
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine
CID 97287235
2-[5-[(S)-amino-(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902662
(R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287068
(R)-[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methoxyphenyl)methanamine
CID 97287501
(S)-(4-ethoxy-3-methoxyphenyl)-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97288056
(S)-(4-methoxyphenyl)-[3-(2-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287452
(R)-(3,4-dimethoxyphenyl)-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287567
(R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287710
(S)-(4-chlorophenyl)-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287807
(R)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine
CID 97287873
3-(2-fluorophenyl)-1H-1,2,4-triazole-5-carbaldehyde
CID 55263663
(4-fluorophenyl)-phenylmethanamine
CID 11183272

Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of (R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine (CID 97287100) is (R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for (R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for (R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine is N[C@H](c1ccc(F)cc1)c1nc(-c2ccccc2F)n[nH]1.
What is the InChIKey of (R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is HGKWBVVXBCLVAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12F2N4/c16-10-7-5-9(6-8-10)13(18)15-19-14(20-21-15)11-3-1-2-4-12(11)17/h1-8,13H,18H2,(H,19,20,21)/t13-/m1/s1.
What are the key properties of (R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine?
(R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 286.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 97287100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).