[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol

C14H17N3O — CID 106894469

IUPAC[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C14H17N3O/c1-2-17-13(9-18)15-16-14(17)12-7-10-5-3-4-6-11(10)8-12/h3-6,12,18H,2,7-9H2,1H3
InChIKeyJEBBOOMAPAZOQI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.67
Rot. Bonds3

About [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol

[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol (PubChem CID 106894469) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol
PubChem CID106894469
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C14H17N3O/c1-2-17-13(9-18)15-16-14(17)12-7-10-5-3-4-6-11(10)8-12/h3-6,12,18H,2,7-9H2,1H3
InChIKeyJEBBOOMAPAZOQI-UHFFFAOYSA-N
XLogP1.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol (CID 106894469) is [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1C1Cc2ccccc2C1.
What is the InChIKey of [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is JEBBOOMAPAZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17-13(9-18)15-16-14(17)12-7-10-5-3-4-6-11(10)8-12/h3-6,12,18H,2,7-9H2,1H3.
What are the key properties of [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 243.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 106894469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).