[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol

C14H19N3O — CID 113301734

IUPAC[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1-c1cc(C)ccc1C
InChIInChI=1S/C14H19N3O/c1-4-7-17-13(9-18)15-16-14(17)12-8-10(2)5-6-11(12)3/h5-6,8,18H,4,7,9H2,1-3H3
InChIKeyHOUICLOMMAFIGZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.46
Rot. Bonds4

About [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol

[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 113301734) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID113301734
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1-c1cc(C)ccc1C
InChIInChI=1S/C14H19N3O/c1-4-7-17-13(9-18)15-16-14(17)12-8-10(2)5-6-11(12)3/h5-6,8,18H,4,7,9H2,1-3H3
InChIKeyHOUICLOMMAFIGZ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol (CID 113301734) is [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1-c1cc(C)ccc1C.
What is the InChIKey of [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is HOUICLOMMAFIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-7-17-13(9-18)15-16-14(17)12-8-10(2)5-6-11(12)3/h5-6,8,18H,4,7,9H2,1-3H3.
What are the key properties of [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 245.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).