5-(1-tert-butylcyclopropyl)-2H-tetrazole

C8H14N4 — CID 118098643

IUPAC5-(1-tert-butylcyclopropyl)-2H-tetrazole
SMILESCC(C)(C)C1(c2nn[nH]n2)CC1
InChIInChI=1S/C8H14N4/c1-7(2,3)8(4-5-8)6-9-11-12-10-6/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyIPWPFEBCPJFAJF-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.28
Rot. Bonds1

About 5-(1-tert-butylcyclopropyl)-2H-tetrazole

5-(1-tert-butylcyclopropyl)-2H-tetrazole (PubChem CID 118098643) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-(1-tert-butylcyclopropyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-tert-butylcyclopropyl)-2H-tetrazole
PubChem CID118098643
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-(1-tert-butylcyclopropyl)-2H-tetrazole
SMILESCC(C)(C)C1(c2nn[nH]n2)CC1
InChIInChI=1S/C8H14N4/c1-7(2,3)8(4-5-8)6-9-11-12-10-6/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyIPWPFEBCPJFAJF-UHFFFAOYSA-N
XLogP1.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2H-tetrazol-5-yl)cyclopentan-1-amine
CID 54594012
1-(2H-tetrazol-5-yl)cyclohexan-1-amine
CID 61149474
1-(2H-tetrazol-5-yl)cyclooctan-1-amine
CID 61150852
5-[1-(methoxymethyl)cyclopentyl]-2H-tetrazole
CID 126818421
4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine
CID 116844668
4-tert-butyl-N-[1-(2H-tetrazol-5-yl)cyclobutyl]piperidine-1-carboxamide
CID 118688724
5-[[1-(2H-tetrazol-5-yl)cycloheptyl]methyl]-2H-tetrazole
CID 117065742
3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
CID 64623642
5-(1-phenylcyclopentyl)-2H-tetrazole
CID 63079747
CID 174337879
CID 174337879
2,2-bis(2H-tetrazol-5-yl)piperazine
CID 70150155
4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine
CID 61151515

Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylcyclopropyl)-2H-tetrazole?
The IUPAC name of 5-(1-tert-butylcyclopropyl)-2H-tetrazole (CID 118098643) is 5-(1-tert-butylcyclopropyl)-2H-tetrazole.
What is the SMILES notation for 5-(1-tert-butylcyclopropyl)-2H-tetrazole?
The canonical SMILES for 5-(1-tert-butylcyclopropyl)-2H-tetrazole is CC(C)(C)C1(c2nn[nH]n2)CC1.
What is the InChIKey of 5-(1-tert-butylcyclopropyl)-2H-tetrazole?
The InChIKey is IPWPFEBCPJFAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7(2,3)8(4-5-8)6-9-11-12-10-6/h4-5H2,1-3H3,(H,9,10,11,12).
What are the key properties of 5-(1-tert-butylcyclopropyl)-2H-tetrazole?
5-(1-tert-butylcyclopropyl)-2H-tetrazole has a molecular weight of 166.23 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylcyclopropyl)-2H-tetrazole is sourced from PubChem (CID 118098643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).