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

C18H23N5 — CID 67423981

IUPAC2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
SMILESc1cnn(-c2ccc3c(c2)CCC3N2CC3(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
InChIKeyQKZBJZYYGFFGRV-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.94
Rot. Bonds2

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

2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane (PubChem CID 67423981) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
PubChem CID67423981
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
SMILESc1cnn(-c2ccc3c(c2)CCC3N2CC3(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
InChIKeyQKZBJZYYGFFGRV-UHFFFAOYSA-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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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?
The IUPAC name of 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane (CID 67423981) is 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane is c1cnn(-c2ccc3c(c2)CCC3N2CC3(CCNCC3)C2)n1.
What is the InChIKey of 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is QKZBJZYYGFFGRV-UHFFFAOYSA-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.
What are the key properties of 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
2-[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-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 67423981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).