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

C18H25Cl2N5 — CID 67405997

IUPAC2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride
SMILESCl.Cl.c1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)n1
InChIInChI=1S/C18H23N5.2ClH/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;2*1H/t17-;;/m1../s1
InChIKeyGRMYQXDRRHVGQT-ZEECNFPPSA-N
MW382.34 g/mol
LogP2.78
Rot. Bonds2

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

2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride (PubChem CID 67405997) has the molecular formula C18H25Cl2N5 and a molecular weight of 382.34 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;dihydrochloride.

Molecular Properties

Compound Name2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride
PubChem CID67405997
Molecular FormulaC18H25Cl2N5
Molecular Weight382.34 g/mol
Exact Mass381.15
IUPAC Name2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride
SMILESCl.Cl.c1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)n1
InChIInChI=1S/C18H23N5.2ClH/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;2*1H/t17-;;/m1../s1
InChIKeyGRMYQXDRRHVGQT-ZEECNFPPSA-N
XLogP2.78
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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;dihydrochloride?
The IUPAC name of 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride (CID 67405997) is 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride.
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;dihydrochloride?
The canonical SMILES for 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is GRMYQXDRRHVGQT-ZEECNFPPSA-N. The full InChI is InChI=1S/C18H23N5.2ClH/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;2*1H/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;dihydrochloride?
2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 2.78, 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;dihydrochloride is sourced from PubChem (CID 67405997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).