(R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine

C14H14N4S — CID 97287931

IUPAC(R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1ccc([C@@H](N)c2nc(-c3cccs3)n[nH]2)cc1
InChIInChI=1S/C14H14N4S/c1-9-4-6-10(7-5-9)12(15)14-16-13(17-18-14)11-3-2-8-19-11/h2-8,12H,15H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeySGTJXESITHPZSF-GFCCVEGCSA-N
MW270.36 g/mol
LogP2.89
Rot. Bonds3

About (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine

(R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 97287931) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
PubChem CID97287931
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name(R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1ccc([C@@H](N)c2nc(-c3cccs3)n[nH]2)cc1
InChIInChI=1S/C14H14N4S/c1-9-4-6-10(7-5-9)12(15)14-16-13(17-18-14)11-3-2-8-19-11/h2-8,12H,15H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeySGTJXESITHPZSF-GFCCVEGCSA-N
XLogP2.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine (CID 97287931) is (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine is Cc1ccc([C@@H](N)c2nc(-c3cccs3)n[nH]2)cc1.
What is the InChIKey of (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is SGTJXESITHPZSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-4-6-10(7-5-9)12(15)14-16-13(17-18-14)11-3-2-8-19-11/h2-8,12H,15H2,1H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
(R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 270.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 97287931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).