3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole

C10H11N3 — CID 142891936

IUPAC3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole
SMILESC=C1N=C(c2ccccc2C)NN1
InChIInChI=1S/C10H11N3/c1-7-5-3-4-6-9(7)10-11-8(2)12-13-10/h3-6,12H,2H2,1H3,(H,11,13)
InChIKeyVJPLFYUBNKKFMP-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.32
Rot. Bonds1

About 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole

3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole (PubChem CID 142891936) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole
PubChem CID142891936
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole
SMILESC=C1N=C(c2ccccc2C)NN1
InChIInChI=1S/C10H11N3/c1-7-5-3-4-6-9(7)10-11-8(2)12-13-10/h3-6,12H,2H2,1H3,(H,11,13)
InChIKeyVJPLFYUBNKKFMP-UHFFFAOYSA-N
XLogP1.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
5-(2-methylphenyl)pyrimidin-2-amine
CID 11309934
5-(2-methylphenyl)-1H-pyrimidine-6-thione
CID 106514460
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
5-(2-methylphenyl)pyrimidine
CID 4188102
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol
CID 45093598
(4E)-2-(2-methylphenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893303
1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944401
3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one
CID 137175529
3-(2-methylphenyl)-5-(2-methylsulfanylethyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110455925

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole?
The IUPAC name of 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole (CID 142891936) is 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole.
What is the SMILES notation for 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole?
The canonical SMILES for 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole is C=C1N=C(c2ccccc2C)NN1.
What is the InChIKey of 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole?
The InChIKey is VJPLFYUBNKKFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-5-3-4-6-9(7)10-11-8(2)12-13-10/h3-6,12H,2H2,1H3,(H,11,13).
What are the key properties of 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole?
3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole has a molecular weight of 173.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole is sourced from PubChem (CID 142891936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).