5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine

C8H15N3 — CID 177181517

IUPAC5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine
SMILESCN1CCCC2NNC=C2C1
InChIInChI=1S/C8H15N3/c1-11-4-2-3-8-7(6-11)5-9-10-8/h5,8-10H,2-4,6H2,1H3
InChIKeyYCRTWOVMDCYYER-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.07
Rot. Bonds

About 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine

5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine (PubChem CID 177181517) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine.

Molecular Properties

Compound Name5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine
PubChem CID177181517
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine
SMILESCN1CCCC2NNC=C2C1
InChIInChI=1S/C8H15N3/c1-11-4-2-3-8-7(6-11)5-9-10-8/h5,8-10H,2-4,6H2,1H3
InChIKeyYCRTWOVMDCYYER-UHFFFAOYSA-N
XLogP0.07
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine
CID 177181516

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine?
The IUPAC name of 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine (CID 177181517) is 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine.
What is the SMILES notation for 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine?
The canonical SMILES for 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine is CN1CCCC2NNC=C2C1.
What is the InChIKey of 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine?
The InChIKey is YCRTWOVMDCYYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-11-4-2-3-8-7(6-11)5-9-10-8/h5,8-10H,2-4,6H2,1H3.
What are the key properties of 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine?
5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine has a molecular weight of 153.23 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepine is sourced from PubChem (CID 177181517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).