1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol

C17H26N4O — CID 131924260

IUPAC1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1nc(CC(C)C)nc1CCc1cccnc1
InChIInChI=1S/C17H26N4O/c1-4-15(22)12-21-17(19-16(20-21)10-13(2)3)8-7-14-6-5-9-18-11-14/h5-6,9,11,13,15,22H,4,7-8,10,12H2,1-3H3
InChIKeyCGYBJTVXQMTILN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.43
Rot. Bonds8

About 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol

1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol (PubChem CID 131924260) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol
PubChem CID131924260
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1nc(CC(C)C)nc1CCc1cccnc1
InChIInChI=1S/C17H26N4O/c1-4-15(22)12-21-17(19-16(20-21)10-13(2)3)8-7-14-6-5-9-18-11-14/h5-6,9,11,13,15,22H,4,7-8,10,12H2,1-3H3
InChIKeyCGYBJTVXQMTILN-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol with MolForge

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Related Compounds

1-[3-(pyridin-3-ylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-1-yl]butan-2-ol
CID 131920001
1-[3-(2-methylpropyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]butan-2-ol
CID 131933993
N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 97197721
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
CID 105082891
1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-3-pyridin-3-ylpropan-1-one
CID 56744083
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
1-pyridin-3-ylpentan-2-ol
CID 62553061
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
3-(5-methylhexyl)pyridine
CID 54316004
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
1-pyridin-3-ylundecan-3-ol
CID 105085819

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol?
The IUPAC name of 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol (CID 131924260) is 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol is CCC(O)Cn1nc(CC(C)C)nc1CCc1cccnc1.
What is the InChIKey of 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol?
The InChIKey is CGYBJTVXQMTILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-15(22)12-21-17(19-16(20-21)10-13(2)3)8-7-14-6-5-9-18-11-14/h5-6,9,11,13,15,22H,4,7-8,10,12H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol?
1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol has a molecular weight of 302.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol is sourced from PubChem (CID 131924260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).