3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole

C13H15N3 — CID 115394910

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15N3/c1-2-16-9-14-15-13(16)12-7-6-10-4-3-5-11(10)8-12/h6-9H,2-5H2,1H3
InChIKeyXCXIOSCOGRHWIC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.45
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole

3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole (PubChem CID 115394910) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole
PubChem CID115394910
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15N3/c1-2-16-9-14-15-13(16)12-7-6-10-4-3-5-11(10)8-12/h6-9H,2-5H2,1H3
InChIKeyXCXIOSCOGRHWIC-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline
CID 62709374
4-ethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole
CID 115394685
3-(chloromethyl)-5-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,2,4-triazole
CID 115398430
1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065936
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111065935
4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
CID 115394639
6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole
CID 118231275
3-(2,3-dihydro-1H-inden-5-yl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 113300047
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106303380
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 32577002
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32580860

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole (CID 115394910) is 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole is CCn1cnnc1-c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole?
The InChIKey is XCXIOSCOGRHWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-16-9-14-15-13(16)12-7-6-10-4-3-5-11(10)8-12/h6-9H,2-5H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole?
3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole has a molecular weight of 213.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 115394910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).