5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole

C8H10N4 — CID 126536455

IUPAC5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole
SMILESCc1cccc(C2=NNNN2)c1
InChIInChI=1S/C8H10N4/c1-6-3-2-4-7(5-6)8-9-11-12-10-8/h2-5,11-12H,1H3,(H,9,10)
InChIKeyVLDBHWQJHGQUGL-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.27
Rot. Bonds1

About 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole

5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole (PubChem CID 126536455) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole
PubChem CID126536455
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole
SMILESCc1cccc(C2=NNNN2)c1
InChIInChI=1S/C8H10N4/c1-6-3-2-4-7(5-6)8-9-11-12-10-8/h2-5,11-12H,1H3,(H,9,10)
InChIKeyVLDBHWQJHGQUGL-UHFFFAOYSA-N
XLogP0.27
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
4-methyl-5-(3-methylphenyl)-1H-pyrazole
CID 54111991
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
(4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol
CID 45093599
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
2-bromo-5-(3-methylphenyl)-1H-imidazole
CID 105498727

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole?
The IUPAC name of 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole (CID 126536455) is 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole.
What is the SMILES notation for 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole?
The canonical SMILES for 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole is Cc1cccc(C2=NNNN2)c1.
What is the InChIKey of 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole?
The InChIKey is VLDBHWQJHGQUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-6-3-2-4-7(5-6)8-9-11-12-10-8/h2-5,11-12H,1H3,(H,9,10).
What are the key properties of 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole?
5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole has a molecular weight of 162.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole is sourced from PubChem (CID 126536455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).