1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole

C8H10N4 — CID 137467215

IUPAC1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole
SMILESCc1nnnn1C1C=CC=CC1
InChIInChI=1S/C8H10N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h2-5,8H,6H2,1H3
InChIKeySOXJXTLGGBIRAL-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.04
Rot. Bonds1

About 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole

1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole (PubChem CID 137467215) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole
PubChem CID137467215
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole
SMILESCc1nnnn1C1C=CC=CC1
InChIInChI=1S/C8H10N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h2-5,8H,6H2,1H3
InChIKeySOXJXTLGGBIRAL-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole (CID 137467215) is 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole is Cc1nnnn1C1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole?
The InChIKey is SOXJXTLGGBIRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h2-5,8H,6H2,1H3.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole?
1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole has a molecular weight of 162.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-5-methyltetrazole is sourced from PubChem (CID 137467215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).