5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole

C16H28N8 — CID 157441490

IUPAC5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole
SMILESCn1nnc(C2CCCCC2)n1.Cn1nnnc1C1CCCCC1
InChIInChI=1S/2C8H14N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7;1-12-10-8(9-11-12)7-5-3-2-4-6-7/h2*7H,2-6H2,1H3
InChIKeyBRSOSPLUWLHNEJ-UHFFFAOYSA-N
MW332.46 g/mol
LogP2.52
Rot. Bonds2

About 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole

5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole (PubChem CID 157441490) has the molecular formula C16H28N8 and a molecular weight of 332.46 g/mol. Its IUPAC name is 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole.

Molecular Properties

Compound Name5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole
PubChem CID157441490
Molecular FormulaC16H28N8
Molecular Weight332.46 g/mol
Exact Mass332.24
IUPAC Name5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole
SMILESCn1nnc(C2CCCCC2)n1.Cn1nnnc1C1CCCCC1
InChIInChI=1S/2C8H14N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7;1-12-10-8(9-11-12)7-5-3-2-4-6-7/h2*7H,2-6H2,1H3
InChIKeyBRSOSPLUWLHNEJ-UHFFFAOYSA-N
XLogP2.52
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 146423214
3-(2-methyltetrazol-5-yl)cyclobutan-1-ol
CID 177227904
[2-(1-methyltetrazol-5-yl)cyclohexyl]methanamine
CID 164650237
N-ethyl-N-[5-(1-methyltetrazol-5-yl)cyclooctyl]butanethioamide
CID 21295536
cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid
CID 67299544
[4-(1-methyltetrazol-5-yl)cyclohexyl]carbamic acid
CID 146423260
2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
CID 155895364
tert-butyl (1S,5R)-6-(1-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl (1R,5S)-6-(2-methyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 161014110
5-(3H-diazirin-3-yl)-2-methyltetrazole
CID 131865476
3-methyl-5-(2-methyltetrazol-5-yl)piperidine
CID 130993639
(5-cycloheptyl-3-methyltriazol-4-yl)methanamine
CID 105462408
(5-cyclohexyl-3-methyltriazol-4-yl)methanamine
CID 105448581

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole?
The IUPAC name of 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole (CID 157441490) is 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole.
What is the SMILES notation for 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole?
The canonical SMILES for 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole is Cn1nnc(C2CCCCC2)n1.Cn1nnnc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole?
The InChIKey is BRSOSPLUWLHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7;1-12-10-8(9-11-12)7-5-3-2-4-6-7/h2*7H,2-6H2,1H3.
What are the key properties of 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole?
5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole has a molecular weight of 332.46 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-methyltetrazole;5-cyclohexyl-2-methyltetrazole is sourced from PubChem (CID 157441490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).