5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole

C11H20N4 — CID 169304014

IUPAC5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole
SMILESCc1nnnn1C1CCC(C(C)C)CC1
InChIInChI=1S/C11H20N4/c1-8(2)10-4-6-11(7-5-10)15-9(3)12-13-14-15/h8,10-11H,4-7H2,1-3H3
InChIKeyJXROEOXWYIOJCX-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.37
Rot. Bonds2

About 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole

5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole (PubChem CID 169304014) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole.

Molecular Properties

Compound Name5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole
PubChem CID169304014
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole
SMILESCc1nnnn1C1CCC(C(C)C)CC1
InChIInChI=1S/C11H20N4/c1-8(2)10-4-6-11(7-5-10)15-9(3)12-13-14-15/h8,10-11H,4-7H2,1-3H3
InChIKeyJXROEOXWYIOJCX-UHFFFAOYSA-N
XLogP2.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole?
The IUPAC name of 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole (CID 169304014) is 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole.
What is the SMILES notation for 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole?
The canonical SMILES for 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole is Cc1nnnn1C1CCC(C(C)C)CC1.
What is the InChIKey of 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole?
The InChIKey is JXROEOXWYIOJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)10-4-6-11(7-5-10)15-9(3)12-13-14-15/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole?
5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole has a molecular weight of 208.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-propan-2-ylcyclohexyl)tetrazole is sourced from PubChem (CID 169304014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).