(3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole

C11H15N3 — CID 118314582

IUPAC(3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole
SMILESCc1ccccc1N1C=NN(C)[C@@H]1C
InChIInChI=1S/C11H15N3/c1-9-6-4-5-7-11(9)14-8-12-13(3)10(14)2/h4-8,10H,1-3H3/t10-/m0/s1
InChIKeyMPRJVFFYHKVTKX-JTQLQIEISA-N
MW189.26 g/mol
LogP2.04
Rot. Bonds1

About (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole

(3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole (PubChem CID 118314582) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole
PubChem CID118314582
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole
SMILESCc1ccccc1N1C=NN(C)[C@@H]1C
InChIInChI=1S/C11H15N3/c1-9-6-4-5-7-11(9)14-8-12-13(3)10(14)2/h4-8,10H,1-3H3/t10-/m0/s1
InChIKeyMPRJVFFYHKVTKX-JTQLQIEISA-N
XLogP2.04
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole
CID 166737224
(2R)-1-hydroxy-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 138656618
2-methyl-1-(2-methylphenyl)-3-propyl-2H-imidazole
CID 143732655
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(2S)-1,2-dimethyl-3-(2-methylphenyl)imidazolidine
CID 121449628
(2R)-1-(1,1-dideuterioethyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 118084605
(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 118083763
copper;1-(2-methylphenyl)triazole
CID 141369525
2-[2-methyl-3-(2-methylphenyl)-2H-benzimidazol-1-yl]aniline
CID 123952526
(2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole
CID 167085434
(10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 137454483
(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine
CID 162706210

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole?
The IUPAC name of (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole (CID 118314582) is (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole.
What is the SMILES notation for (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole?
The canonical SMILES for (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole is Cc1ccccc1N1C=NN(C)[C@@H]1C.
What is the InChIKey of (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole?
The InChIKey is MPRJVFFYHKVTKX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3/c1-9-6-4-5-7-11(9)14-8-12-13(3)10(14)2/h4-8,10H,1-3H3/t10-/m0/s1.
What are the key properties of (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole?
(3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole has a molecular weight of 189.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-4-(2-methylphenyl)-3H-1,2,4-triazole is sourced from PubChem (CID 118314582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).