[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

C14H19N3O — CID 115396079

IUPAC[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCCc1ccc(-c2nnc(CO)n2C(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-4-11-5-7-12(8-6-11)14-16-15-13(9-18)17(14)10(2)3/h5-8,10,18H,4,9H2,1-3H3
InChIKeyCYIMVJOMBRRETC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds4

About [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396079) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID115396079
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCCc1ccc(-c2nnc(CO)n2C(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-4-11-5-7-12(8-6-11)14-16-15-13(9-18)17(14)10(2)3/h5-8,10,18H,4,9H2,1-3H3
InChIKeyCYIMVJOMBRRETC-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 115396079) is [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is CCc1ccc(-c2nnc(CO)n2C(C)C)cc1.
What is the InChIKey of [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is CYIMVJOMBRRETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-11-5-7-12(8-6-11)14-16-15-13(9-18)17(14)10(2)3/h5-8,10,18H,4,9H2,1-3H3.
What are the key properties of [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 245.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).