5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole

C8H10N4 — CID 22351201

IUPAC5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole
SMILESCn1nnnc1C1=CCCC=C1
InChIInChI=1S/C8H10N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3
InChIKeyDCRBMPDOSLDCJR-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.94
Rot. Bonds1

About 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole

5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole (PubChem CID 22351201) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole
PubChem CID22351201
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole
SMILESCn1nnnc1C1=CCCC=C1
InChIInChI=1S/C8H10N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3
InChIKeyDCRBMPDOSLDCJR-UHFFFAOYSA-N
XLogP0.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole 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

1-Methyl-5-(1-methyl-1H-tetrazol-5-yl)-1,2,3,6-tetrahydro-pyridine
CID 15185521
5-[(2E)-6-fluoro-5-(1-fluorohexa-1,2,3,4,5-pentaenyl)undeca-2,4,6,7,8,9,10-heptaen-4-yl]-1-methyltetrazole
CID 21138109
5-[(2E,4E)-6-fluoro-5-(fluoromethyl)undeca-2,4,6,7,8,9,10-heptaen-4-yl]-1-methyltetrazole
CID 59904772
5-[6-Fluoro-5-(1-fluorohexa-1,2,3,4,5-pentaenyl)undeca-2,4,6,7,8,9,10-heptaen-4-yl]-1-methyltetrazole
CID 73754716
5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole
CID 174192481
5-(1-Methyltetrazol-5-yl)-3-propan-2-yl-2,3-dihydropyridine
CID 22393314
5-[(E)-but-2-enyl]-1-methyltetrazole
CID 56610541
Iridium;1-methyl-5-phenyltetrazole
CID 59661490
1-Methyl-5-phenyltetrazole;platinum
CID 59661612
3-[5-[(2Z,4E)-6-methylhepta-2,4-dien-2-yl]tetrazol-1-yl]propanenitrile
CID 59887957
3,4,5,6-Tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
CID 67324242
5-(1-Cyclohexa-2,4-dien-1-ylethenyl)-1-methyltetrazole
CID 68243202

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole (CID 22351201) is 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole is Cn1nnnc1C1=CCCC=C1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole?
The InChIKey is DCRBMPDOSLDCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3.
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole?
5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole has a molecular weight of 162.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-1-methyltetrazole is sourced from PubChem (CID 22351201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).