[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol

C14H19N3O — CID 82197597

IUPAC[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol
SMILESCCc1c(CO)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-4-14-13(9-18)15-16-17(14)12-7-5-11(6-8-12)10(2)3/h5-8,10,18H,4,9H2,1-3H3
InChIKeyOWJLLJRZBREQKM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds4

About [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol

[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol (PubChem CID 82197597) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol
PubChem CID82197597
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol
SMILESCCc1c(CO)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-4-14-13(9-18)15-16-17(14)12-7-5-11(6-8-12)10(2)3/h5-8,10,18H,4,9H2,1-3H3
InChIKeyOWJLLJRZBREQKM-UHFFFAOYSA-N
XLogP2.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine
CID 107431517
propyl 4-[5-ethyl-4-(hydroxymethyl)triazol-1-yl]benzoate
CID 82195625
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyltriazol-4-yl]methanol
CID 56686712
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
CID 82199899
[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
CID 82196737
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686714
[5-ethyl-1-(4-methoxy-3-nitrophenyl)triazol-4-yl]methanol
CID 82197388
5-butyl-1-(4-propan-2-ylphenyl)triazole-4-carbonitrile
CID 82197604
[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
CID 167438912
[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 19914668
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol (CID 82197597) is [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol is CCc1c(CO)nnn1-c1ccc(C(C)C)cc1.
What is the InChIKey of [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol?
The InChIKey is OWJLLJRZBREQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-14-13(9-18)15-16-17(14)12-7-5-11(6-8-12)10(2)3/h5-8,10,18H,4,9H2,1-3H3.
What are the key properties of [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol?
[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol has a molecular weight of 245.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82197597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).