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

C15H13FN4 — CID 97287235

IUPAC(R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine
SMILESN[C@H](c1ccccc1)c1nc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C15H13FN4/c16-12-9-5-4-8-11(12)14-18-15(20-19-14)13(17)10-6-2-1-3-7-10/h1-9,13H,17H2,(H,18,19,20)/t13-/m1/s1
InChIKeyVRSNLKDIOXNJCB-CYBMUJFWSA-N
MW268.30 g/mol
LogP2.66
Rot. Bonds3

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

(R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine (PubChem CID 97287235) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is (R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine
PubChem CID97287235
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name(R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine
SMILESN[C@H](c1ccccc1)c1nc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C15H13FN4/c16-12-9-5-4-8-11(12)14-18-15(20-19-14)13(17)10-6-2-1-3-7-10/h1-9,13H,17H2,(H,18,19,20)/t13-/m1/s1
InChIKeyVRSNLKDIOXNJCB-CYBMUJFWSA-N
XLogP2.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287100
2-[5-[(S)-amino-(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902662
(R)-[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methoxyphenyl)methanamine
CID 97287501
(R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287068
(R)-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-phenylmethanamine
CID 97287252
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
(S)-(4-methoxyphenyl)-[3-(2-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287452
3-(2-fluorophenyl)-1H-1,2,4-triazole-5-carbaldehyde
CID 55263663
2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902728
(S)-(4-ethoxy-3-methoxyphenyl)-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97288056
(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

Frequently Asked Questions

What is the IUPAC name of (R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine?
The IUPAC name of (R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine (CID 97287235) is (R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine?
The canonical SMILES for (R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine is N[C@H](c1ccccc1)c1nc(-c2ccccc2F)n[nH]1.
What is the InChIKey of (R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine?
The InChIKey is VRSNLKDIOXNJCB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13FN4/c16-12-9-5-4-8-11(12)14-18-15(20-19-14)13(17)10-6-2-1-3-7-10/h1-9,13H,17H2,(H,18,19,20)/t13-/m1/s1.
What are the key properties of (R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine?
(R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine has a molecular weight of 268.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 97287235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).