5-[(4-methylcyclohexyl)methyl]-2H-tetrazole

C9H16N4 — CID 91076976

IUPAC5-[(4-methylcyclohexyl)methyl]-2H-tetrazole
SMILESCC1CCC(Cc2nn[nH]n2)CC1
InChIInChI=1S/C9H16N4/c1-7-2-4-8(5-3-7)6-9-10-12-13-11-9/h7-8H,2-6H2,1H3,(H,10,11,12,13)
InChIKeyKAJQNJZYMYYROG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.57
Rot. Bonds2

About 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole

5-[(4-methylcyclohexyl)methyl]-2H-tetrazole (PubChem CID 91076976) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(4-methylcyclohexyl)methyl]-2H-tetrazole
PubChem CID91076976
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-[(4-methylcyclohexyl)methyl]-2H-tetrazole
SMILESCC1CCC(Cc2nn[nH]n2)CC1
InChIInChI=1S/C9H16N4/c1-7-2-4-8(5-3-7)6-9-10-12-13-11-9/h7-8H,2-6H2,1H3,(H,10,11,12,13)
InChIKeyKAJQNJZYMYYROG-UHFFFAOYSA-N
XLogP1.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole (CID 91076976) is 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole is CC1CCC(Cc2nn[nH]n2)CC1.
What is the InChIKey of 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole?
The InChIKey is KAJQNJZYMYYROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-2-4-8(5-3-7)6-9-10-12-13-11-9/h7-8H,2-6H2,1H3,(H,10,11,12,13).
What are the key properties of 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole?
5-[(4-methylcyclohexyl)methyl]-2H-tetrazole has a molecular weight of 180.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohexyl)methyl]-2H-tetrazole is sourced from PubChem (CID 91076976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).