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

C15H21N3O — CID 115396870

IUPAC[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Cc1cc(C)ccc1C
InChIInChI=1S/C15H21N3O/c1-4-7-18-14(16-17-15(18)10-19)9-13-8-11(2)5-6-12(13)3/h5-6,8,19H,4,7,9-10H2,1-3H3
InChIKeyMMEZBTTVOQDDEV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds5

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

[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396870) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID115396870
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Cc1cc(C)ccc1C
InChIInChI=1S/C15H21N3O/c1-4-7-18-14(16-17-15(18)10-19)9-13-8-11(2)5-6-12(13)3/h5-6,8,19H,4,7,9-10H2,1-3H3
InChIKeyMMEZBTTVOQDDEV-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301706
[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301704
[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301734
[4-tert-butyl-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 115396537
[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396895
[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 113301649
3-(chloromethyl)-5-[(2,5-dimethylphenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397481
[5-(5-chloro-2-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 82891451
[5-(5-fluoro-2-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301703
3-(bromomethyl)-5-[(3-methylphenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302508
[4-propyl-5-(3,4,5-trifluorophenyl)-1,2,4-triazol-3-yl]methanol
CID 115396767
[5-(2-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301728

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol (CID 115396870) is [5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1Cc1cc(C)ccc1C.
What is the InChIKey of [5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is MMEZBTTVOQDDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-7-18-14(16-17-15(18)10-19)9-13-8-11(2)5-6-12(13)3/h5-6,8,19H,4,7,9-10H2,1-3H3.
What are the key properties of [5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).