1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

C14H19N3O — CID 112744377

IUPAC1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCC(O)(c1ccccc1)c1ncnn1C(C)C
InChIInChI=1S/C14H19N3O/c1-4-14(18,12-8-6-5-7-9-12)13-15-10-16-17(13)11(2)3/h5-11,18H,4H2,1-3H3
InChIKeyGDMJKHSHTBVEBF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.50
Rot. Bonds4

About 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 112744377) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID112744377
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCC(O)(c1ccccc1)c1ncnn1C(C)C
InChIInChI=1S/C14H19N3O/c1-4-14(18,12-8-6-5-7-9-12)13-15-10-16-17(13)11(2)3/h5-11,18H,4H2,1-3H3
InChIKeyGDMJKHSHTBVEBF-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114029038
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
2-ethyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]butanoic acid
CID 79809718
2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 104846308
2-(3-fluorophenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 114872762
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
2,3-dimethyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 83149402
1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 116751556
2-ethoxycarbonyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 103974479
2-hydroxy-3-methyl-2-phenylbutanal
CID 12859212
CID 136819313
CID 136819313
ethane;3-methylpentan-3-ylbenzene
CID 90745317

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (CID 112744377) is 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is CCC(O)(c1ccccc1)c1ncnn1C(C)C.
What is the InChIKey of 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is GDMJKHSHTBVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-14(18,12-8-6-5-7-9-12)13-15-10-16-17(13)11(2)3/h5-11,18H,4H2,1-3H3.
What are the key properties of 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 112744377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).