1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole

C8H10N4 — CID 131995245

IUPAC1-cyclohexa-1,5-dien-1-yl-5-methyltetrazole
SMILESCC1=NN=NN1C2=CCCC=C2
InChIInChI=1S/C8H10N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h3,5-6H,2,4H2,1H3
InChIKeyFICDGUBAFDORTM-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.60
Rot. Bonds1

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

1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole (PubChem CID 131995245) has the molecular formula C8H10N4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-5-methyltetrazole.

Molecular Properties

Compound Name1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole
PubChem CID131995245
Molecular FormulaC8H10N4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name1-cyclohexa-1,5-dien-1-yl-5-methyltetrazole
SMILESCC1=NN=NN1C2=CCCC=C2
InChIInChI=1S/C8H10N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h3,5-6H,2,4H2,1H3
InChIKeyFICDGUBAFDORTM-UHFFFAOYSA-N
XLogP1.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity221

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Methyltetrazol-1-yl)benzene-6-id-1-amine;yttrium
CID 57672581
1-Cyclohexa-2,4-dien-1-yl-5-methyltetrazole
CID 137467215
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methyltetrazole
CID 143179512
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
CID 144668192
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
CID 144668194
5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole
CID 145152080
1-[(2E,4Z)-hepta-2,4-dien-2-yl]-5-methyltetrazole
CID 163498742
5,5-Dimethyltetrazolo[1,5-a]azepine
CID 164876361
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole
CID 144668193

Frequently Asked Questions

What is the IUPAC name of 1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole?
The IUPAC name of 1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole (CID 131995245) is 1-cyclohexa-1,5-dien-1-yl-5-methyltetrazole.
What is the SMILES notation for 1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole?
The canonical SMILES for 1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole is CC1=NN=NN1C2=CCCC=C2.
What is the InChIKey of 1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole?
The InChIKey is FICDGUBAFDORTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h3,5-6H,2,4H2,1H3.
What are the key properties of 1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole?
1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole has a molecular weight of 162.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Cyclohexa-1,5-dien-1-yl-5-methyltetrazole is sourced from PubChem (CID 131995245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).