3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol

C14H27N3O — CID 115816584

IUPAC3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
SMILESCCCC(CCC)C(O)Cc1ncnn1CCC
InChIInChI=1S/C14H27N3O/c1-4-7-12(8-5-2)13(18)10-14-15-11-16-17(14)9-6-3/h11-13,18H,4-10H2,1-3H3
InChIKeyAHRQNAKRFQMFOL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.81
Rot. Bonds9

About 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol

3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol (PubChem CID 115816584) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol.

Molecular Properties

Compound Name3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
PubChem CID115816584
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
SMILESCCCC(CCC)C(O)Cc1ncnn1CCC
InChIInChI=1S/C14H27N3O/c1-4-7-12(8-5-2)13(18)10-14-15-11-16-17(14)9-6-3/h11-13,18H,4-10H2,1-3H3
InChIKeyAHRQNAKRFQMFOL-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 79411663
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 80557324
1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 106634605
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105206476
4-ethoxy-N-ethyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162685
1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816524
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
N-ethyl-5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79954945

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol?
The IUPAC name of 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol (CID 115816584) is 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol.
What is the SMILES notation for 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol?
The canonical SMILES for 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol is CCCC(CCC)C(O)Cc1ncnn1CCC.
What is the InChIKey of 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol?
The InChIKey is AHRQNAKRFQMFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-7-12(8-5-2)13(18)10-14-15-11-16-17(14)9-6-3/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol?
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol is sourced from PubChem (CID 115816584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).