cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine

C11H20N4 — CID 67938725

IUPACcyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
SMILESC1CCCC1.C1CCc2nnnn2CC1
InChIInChI=1S/C6H10N4.C5H10/c1-2-4-6-7-8-9-10(6)5-3-1;1-2-4-5-3-1/h1-5H2;1-5H2
InChIKeyJBHDIDROMFZQDI-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.35
Rot. Bonds

About cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine

cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine (PubChem CID 67938725) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine.

Molecular Properties

Compound Namecyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
PubChem CID67938725
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Namecyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
SMILESC1CCCC1.C1CCc2nnnn2CC1
InChIInChI=1S/C6H10N4.C5H10/c1-2-4-6-7-8-9-10(6)5-3-1;1-2-4-5-3-1/h1-5H2;1-5H2
InChIKeyJBHDIDROMFZQDI-UHFFFAOYSA-N
XLogP2.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione
CID 132583513
5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 15496061
9-phenyl-8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione
CID 132583518
2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid
CID 83817108
2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine
CID 123797625
8-benzyl-9-(2-methylpropyl)-1,8,11,18,21,22,23-heptazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione
CID 135035061
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine
CID 163954954
3-(chloromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 66489687
9-benzylidene-5,6,7,8-tetrahydrotetrazolo[1,5-a]azepine;5,6,7,8-tetrahydrotetrazolo[1,5-a]azepin-9-one
CID 159605026
2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 10356283
ethane;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 143209062
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-yl)aniline
CID 35395996

Frequently Asked Questions

What is the IUPAC name of cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
The IUPAC name of cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine (CID 67938725) is cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine.
What is the SMILES notation for cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
The canonical SMILES for cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine is C1CCCC1.C1CCc2nnnn2CC1.
What is the InChIKey of cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
The InChIKey is JBHDIDROMFZQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.C5H10/c1-2-4-6-7-8-9-10(6)5-3-1;1-2-4-5-3-1/h1-5H2;1-5H2.
What are the key properties of cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine has a molecular weight of 208.31 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine is sourced from PubChem (CID 67938725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).