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

C14H13FN4O — CID 97287068

IUPAC(R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESCc1occc1-c1n[nH]c([C@H](N)c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN4O/c1-8-11(6-7-20-8)13-17-14(19-18-13)12(16)9-2-4-10(15)5-3-9/h2-7,12H,16H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyCAYPWKGHJHFEGU-GFCCVEGCSA-N
MW272.28 g/mol
LogP2.56
Rot. Bonds3

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

(R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 97287068) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is (R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name(R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID97287068
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name(R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESCc1occc1-c1n[nH]c([C@H](N)c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN4O/c1-8-11(6-7-20-8)13-17-14(19-18-13)12(16)9-2-4-10(15)5-3-9/h2-7,12H,16H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyCAYPWKGHJHFEGU-GFCCVEGCSA-N
XLogP2.56
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287100
(S)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine
CID 97287848
(R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine
CID 97287235
5-chloro-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole
CID 104791073
(R)-(3,4-dimethoxyphenyl)-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287567
4-[5-[(R)-amino-(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902674
(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
(R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287710
3-[5-[(S)-amino-(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 97287874
(R)-[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methoxyphenyl)methanamine
CID 97287501
(R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287931

Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of (R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine (CID 97287068) is (R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for (R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for (R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine is Cc1occc1-c1n[nH]c([C@H](N)c2ccc(F)cc2)n1.
What is the InChIKey of (R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is CAYPWKGHJHFEGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8-11(6-7-20-8)13-17-14(19-18-13)12(16)9-2-4-10(15)5-3-9/h2-7,12H,16H2,1H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of (R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine?
(R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 272.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 97287068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).