(2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol

C19H21N3O — CID 3693891

IUPAC(2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol
SMILESCCCCn1ncnc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-2-3-14-22-18(20-15-21-22)19(23,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,23H,2-3,14H2,1H3
InChIKeyBLJLTHQTPLRGKN-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.36
Rot. Bonds6

About (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol

(2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol (PubChem CID 3693891) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol.

Molecular Properties

Compound Name(2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol
PubChem CID3693891
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol
SMILESCCCCn1ncnc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-2-3-14-22-18(20-15-21-22)19(23,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,23H,2-3,14H2,1H3
InChIKeyBLJLTHQTPLRGKN-UHFFFAOYSA-N
XLogP3.36
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Flutriafol
CID 91727
Efinaconazole
CID 489181
[1-[(1-Methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol
CID 122194236
1H-1,2,4-Triazole-1-ethanol, alpha,alpha-diphenyl-
CID 156749
1,1-Diphenyl-2-(1H-1,2,4-triazol-1-yl)but-3-en-1-ol
CID 4317023
2-(2-Fluorophenyl)-1-(1,2,4-triazol-1-yl)heptan-2-ol
CID 13730143
2-(2-Fluorophenyl)-1-(1,2,4-triazol-1-yl)octan-2-ol
CID 13730162
2-(2,4-Difluorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 13823381
2-(4-Phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol
CID 118732536
1-(3-Nitro-1,2,4-triazol-1-yl)-2-(4-phenylphenyl)propan-2-ol
CID 118732537
Cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 122194237
2-(2,4-Difluorophenyl)-1-(1,2,4-triazol-1-yl)octan-2-ol
CID 145980130

Frequently Asked Questions

What is the IUPAC name of (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol?
The IUPAC name of (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol (CID 3693891) is (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol.
What is the SMILES notation for (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol?
The canonical SMILES for (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol is CCCCn1ncnc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol?
The InChIKey is BLJLTHQTPLRGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-3-14-22-18(20-15-21-22)19(23,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,23H,2-3,14H2,1H3.
What are the key properties of (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol?
(2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol has a molecular weight of 307.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1,2,4-triazol-3-yl)-diphenylmethanol is sourced from PubChem (CID 3693891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).