N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C17H27N5O2 — CID 75378974

IUPACN-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCc1nnc2n1CCCCC2)N1CCC2(CCOC2)C1
InChIInChI=1S/C17H27N5O2/c23-16(21-10-6-17(12-21)7-11-24-13-17)18-8-5-15-20-19-14-4-2-1-3-9-22(14)15/h1-13H2,(H,18,23)
InChIKeyIEHKQQVLSJAMRZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.37
Rot. Bonds3

About N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 75378974) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID75378974
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCc1nnc2n1CCCCC2)N1CCC2(CCOC2)C1
InChIInChI=1S/C17H27N5O2/c23-16(21-10-6-17(12-21)7-11-24-13-17)18-8-5-15-20-19-14-4-2-1-3-9-22(14)15/h1-13H2,(H,18,23)
InChIKeyIEHKQQVLSJAMRZ-UHFFFAOYSA-N
XLogP1.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 75378974) is N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NCCc1nnc2n1CCCCC2)N1CCC2(CCOC2)C1.
What is the InChIKey of N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is IEHKQQVLSJAMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c23-16(21-10-6-17(12-21)7-11-24-13-17)18-8-5-15-20-19-14-4-2-1-3-9-22(14)15/h1-13H2,(H,18,23).
What are the key properties of N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 75378974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).