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

C15H19N3O — CID 94068903

IUPAC[1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)c1c(CO)nnn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19N3O/c1-10(2)15-14(9-19)16-17-18(15)13-7-6-11-4-3-5-12(11)8-13/h6-8,10,19H,3-5,9H2,1-2H3
InChIKeyNGEURMCOEDQCHG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds3

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

[1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol (PubChem CID 94068903) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol
PubChem CID94068903
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)c1c(CO)nnn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19N3O/c1-10(2)15-14(9-19)16-17-18(15)13-7-6-11-4-3-5-12(11)8-13/h6-8,10,19H,3-5,9H2,1-2H3
InChIKeyNGEURMCOEDQCHG-UHFFFAOYSA-N
XLogP2.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chloro-4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82195368
[1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82196981
3-[4-(hydroxymethyl)-5-propan-2-yltriazol-1-yl]benzoic acid
CID 82197303
[1-(3-chloro-4-fluorophenyl)-5-pentan-3-yltriazol-4-yl]methanol
CID 82195374
1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-amine
CID 79506398
1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol
CID 81444929
N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide
CID 3229015
5-[4-(aminomethyl)-5-propan-2-yltriazol-1-yl]-2-chlorobenzoic acid
CID 82197856
3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine
CID 143261620
[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol
CID 82197597
[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82208217
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol (CID 94068903) is [1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol is CC(C)c1c(CO)nnn1-c1ccc2c(c1)CCC2.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol?
The InChIKey is NGEURMCOEDQCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)15-14(9-19)16-17-18(15)13-7-6-11-4-3-5-12(11)8-13/h6-8,10,19H,3-5,9H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol?
[1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol has a molecular weight of 257.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 94068903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).