7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane

C11H21N3 — CID 142933430

IUPAC7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane
SMILESC1=Cc2cnnn2CCC1.CC.CC
InChIInChI=1S/C7H9N3.2C2H6/c1-2-4-7-6-8-9-10(7)5-3-1;2*1-2/h2,4,6H,1,3,5H2;2*1-2H3
InChIKeyWRKWJKBYQJJRSA-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.14
Rot. Bonds

About 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane

7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane (PubChem CID 142933430) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane.

Molecular Properties

Compound Name7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane
PubChem CID142933430
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane
SMILESC1=Cc2cnnn2CCC1.CC.CC
InChIInChI=1S/C7H9N3.2C2H6/c1-2-4-7-6-8-9-10(7)5-3-1;2*1-2/h2,4,6H,1,3,5H2;2*1-2H3
InChIKeyWRKWJKBYQJJRSA-UHFFFAOYSA-N
XLogP3.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-Ethyl-3H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10058412
4-[(3E,5E)-6-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltriazole
CID 129203743
1-tert-butyl-4-[(3E,5E)-6-fluoroocta-1,3,5,7-tetraen-4-yl]triazole
CID 146643716
4-[(2E,4E)-5-fluorohepta-2,4,6-trien-3-yl]-1-methyltriazole
CID 166900186
1-tert-butyl-4-[(2E,4E)-5-fluorohepta-2,4,6-trien-3-yl]triazole
CID 169801797
4-Methyl-6H-pyrrolo[1,2-c][1,2,3]triazole
CID 12356912
1-Butyl-4-ethenyltriazole
CID 21679664
1-Butyl-5-ethenyltriazole
CID 21679665
6,8-Dihydrotriazolo[1,5-a]azepin-7-one
CID 67425829
6-oxido-7H-triazolo[1,5-a][1,5]benzodiazepin-6-ium
CID 88817793
1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole
CID 89271238
1-Ethyl-4-penta-1,3-dien-3-yltriazole
CID 90775530

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane?
The IUPAC name of 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane (CID 142933430) is 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane.
What is the SMILES notation for 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane?
The canonical SMILES for 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane is C1=Cc2cnnn2CCC1.CC.CC.
What is the InChIKey of 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane?
The InChIKey is WRKWJKBYQJJRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.2C2H6/c1-2-4-7-6-8-9-10(7)5-3-1;2*1-2/h2,4,6H,1,3,5H2;2*1-2H3.
What are the key properties of 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane?
7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane has a molecular weight of 195.31 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-triazolo[1,5-a]azepine;ethane is sourced from PubChem (CID 142933430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).