5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole

C10H16N8 — CID 117065742

IUPAC5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole
SMILESC1CCCC(Cc2nn[nH]n2)(c2nn[nH]n2)CC1
InChIInChI=1S/C10H16N8/c1-2-4-6-10(5-3-1,9-13-17-18-14-9)7-8-11-15-16-12-8/h1-7H2,(H,11,12,15,16)(H,13,14,17,18)
InChIKeyRSKYVLJYXBFCLX-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.55
Rot. Bonds3

About 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole

5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole (PubChem CID 117065742) has the molecular formula C10H16N8 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole
PubChem CID117065742
Molecular FormulaC10H16N8
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole
SMILESC1CCCC(Cc2nn[nH]n2)(c2nn[nH]n2)CC1
InChIInChI=1S/C10H16N8/c1-2-4-6-10(5-3-1,9-13-17-18-14-9)7-8-11-15-16-12-8/h1-7H2,(H,11,12,15,16)(H,13,14,17,18)
InChIKeyRSKYVLJYXBFCLX-UHFFFAOYSA-N
XLogP0.55
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2H-tetrazol-5-ylmethyl)cyclohexan-1-ol
CID 10986918
[1-(2H-tetrazol-5-ylmethyl)cyclohexyl]methanamine
CID 10176518
1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidine
CID 141200245
5-[1-(methoxymethyl)cyclopentyl]-2H-tetrazole
CID 126818421
1-(2H-tetrazol-5-yl)cyclooctan-1-amine
CID 61150852
1-(2H-tetrazol-5-yl)cyclohexan-1-amine
CID 61149474
1-(2H-tetrazol-5-yl)cyclopentan-1-amine
CID 54594012
5-(1-phenylcyclopentyl)-2H-tetrazole
CID 63079747
5-(1-tert-butylcyclopropyl)-2H-tetrazole
CID 118098643
[1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine
CID 18614309
2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 64677423
8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 60976124

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole?
The IUPAC name of 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole (CID 117065742) is 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole.
What is the SMILES notation for 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole?
The canonical SMILES for 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole is C1CCCC(Cc2nn[nH]n2)(c2nn[nH]n2)CC1.
What is the InChIKey of 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole?
The InChIKey is RSKYVLJYXBFCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8/c1-2-4-6-10(5-3-1,9-13-17-18-14-9)7-8-11-15-16-12-8/h1-7H2,(H,11,12,15,16)(H,13,14,17,18).
What are the key properties of 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole?
5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole has a molecular weight of 248.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole is sourced from PubChem (CID 117065742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).