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

C14H20N4O — CID 105107794

IUPAC1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol
SMILESCC(C)n1ncnc1CC(O)CCc1ccncc1
InChIInChI=1S/C14H20N4O/c1-11(2)18-14(16-10-17-18)9-13(19)4-3-12-5-7-15-8-6-12/h5-8,10-11,13,19H,3-4,9H2,1-2H3
InChIKeyOGATZRRDFYQKLO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.79
Rot. Bonds6

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

1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol (PubChem CID 105107794) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol
PubChem CID105107794
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol
SMILESCC(C)n1ncnc1CC(O)CCc1ccncc1
InChIInChI=1S/C14H20N4O/c1-11(2)18-14(16-10-17-18)9-13(19)4-3-12-5-7-15-8-6-12/h5-8,10-11,13,19H,3-4,9H2,1-2H3
InChIKeyOGATZRRDFYQKLO-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 105107928
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-(2,6-difluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 115813882
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
4-(3-methylphenoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107906
1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 105107858
[4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105317282
1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 82729587
1-methoxy-4-pyridin-4-ylbutan-2-ol
CID 79422011
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol (CID 105107794) is 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol is CC(C)n1ncnc1CC(O)CCc1ccncc1.
What is the InChIKey of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol?
The InChIKey is OGATZRRDFYQKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)18-14(16-10-17-18)9-13(19)4-3-12-5-7-15-8-6-12/h5-8,10-11,13,19H,3-4,9H2,1-2H3.
What are the key properties of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol?
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 105107794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).