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

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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).