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

C13H11ClN4O — CID 97287710

IUPAC(R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESN[C@H](c1ccc(Cl)cc1)c1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C13H11ClN4O/c14-9-5-3-8(4-6-9)11(15)13-16-12(17-18-13)10-2-1-7-19-10/h1-7,11H,15H2,(H,16,17,18)/t11-/m1/s1
InChIKeyQFKFPNDIIBCXLS-LLVKDONJSA-N
MW274.71 g/mol
LogP2.77
Rot. Bonds3

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

(R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 97287710) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is (R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name(R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID97287710
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name(R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESN[C@H](c1ccc(Cl)cc1)c1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C13H11ClN4O/c14-9-5-3-8(4-6-9)11(15)13-16-12(17-18-13)10-2-1-7-19-10/h1-7,11H,15H2,(H,16,17,18)/t11-/m1/s1
InChIKeyQFKFPNDIIBCXLS-LLVKDONJSA-N
XLogP2.77
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]-(4-methylphenyl)methanamine
CID 97287848
2-[5-[(S)-amino-(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902662
(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)-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-(4-methoxyphenyl)methanamine
CID 97287459
(S)-(4-chlorophenyl)-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287717
(R)-(4-chlorophenyl)-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287834
5-(chloromethyl)-3-(furan-2-yl)-1H-1,2,4-triazole
CID 79600359
(R)-(4-fluorophenyl)-[3-(2-methylfuran-3-yl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287068
(S)-(4-chlorophenyl)-[3-(4-methoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287823
3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 167964392
(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-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of (R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine (CID 97287710) is (R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for (R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for (R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine is N[C@H](c1ccc(Cl)cc1)c1nc(-c2ccco2)n[nH]1.
What is the InChIKey of (R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is QFKFPNDIIBCXLS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-9-5-3-8(4-6-9)11(15)13-16-12(17-18-13)10-2-1-7-19-10/h1-7,11H,15H2,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine?
(R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 274.71 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chlorophenyl)-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 97287710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).