2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C19H23N5O2 — CID 77285685

IUPAC2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(C1CCc3cc(-n4nccn4)ccc31)C2
InChIInChI=1S/C19H23N5O2/c25-18(26)22-9-5-19(6-10-22)12-23(13-19)17-4-1-14-11-15(2-3-16(14)17)24-20-7-8-21-24/h2-3,7-8,11,17H,1,4-6,9-10,12-13H2,(H,25,26)
InChIKeyVKXTTWCJKNAATI-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.33
Rot. Bonds2

About 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 77285685) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
PubChem CID77285685
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(C1CCc3cc(-n4nccn4)ccc31)C2
InChIInChI=1S/C19H23N5O2/c25-18(26)22-9-5-19(6-10-22)12-23(13-19)17-4-1-14-11-15(2-3-16(14)17)24-20-7-8-21-24/h2-3,7-8,11,17H,1,4-6,9-10,12-13H2,(H,25,26)
InChIKeyVKXTTWCJKNAATI-UHFFFAOYSA-N
XLogP2.33
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid 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 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 77285685) is 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CN(C1CCc3cc(-n4nccn4)ccc31)C2.
What is the InChIKey of 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is VKXTTWCJKNAATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(26)22-9-5-19(6-10-22)12-23(13-19)17-4-1-14-11-15(2-3-16(14)17)24-20-7-8-21-24/h2-3,7-8,11,17H,1,4-6,9-10,12-13H2,(H,25,26).
What are the key properties of 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 353.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 77285685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).