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

C18H23N5 — CID 58438493

IUPAC2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
SMILESc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)n1
InChIInChI=1S/C18H23N5/c1-4-17(22-12-18(13-22)5-7-19-8-6-18)16-3-2-15(11-14(1)16)23-20-9-10-21-23/h2-3,9-11,17,19H,1,4-8,12-13H2/t17-/m1/s1
InChIKeyQKZBJZYYGFFGRV-QGZVFWFLSA-N
MW309.42 g/mol
LogP1.94
Rot. Bonds2

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

2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane (PubChem CID 58438493) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
PubChem CID58438493
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
SMILESc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)n1
InChIInChI=1S/C18H23N5/c1-4-17(22-12-18(13-22)5-7-19-8-6-18)16-3-2-15(11-14(1)16)23-20-9-10-21-23/h2-3,9-11,17,19H,1,4-8,12-13H2/t17-/m1/s1
InChIKeyQKZBJZYYGFFGRV-QGZVFWFLSA-N
XLogP1.94
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
CID 58438465
2-methylpropyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 58438492
2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67405997
2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 67406214
tert-butyl 2-((R)-5-(2H-1,2,3-triazol-2-yl)-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 67409328
3-tert-butyl-2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 67410287
2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
CID 67423981
butan-2-yl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 68245226
2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
CID 76786341
2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 77285685
tert-butyl 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 77286772
tert-butyl (3R)-3-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 141404539

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane (CID 58438493) is 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane is c1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)n1.
What is the InChIKey of 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is QKZBJZYYGFFGRV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N5/c1-4-17(22-12-18(13-22)5-7-19-8-6-18)16-3-2-15(11-14(1)16)23-20-9-10-21-23/h2-3,9-11,17,19H,1,4-8,12-13H2/t17-/m1/s1.
What are the key properties of 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 309.42 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 58438493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).