2-(1-butyl-5-methyltriazol-4-yl)ethanol

C9H17N3O — CID 82205579

IUPAC2-(1-butyl-5-methyltriazol-4-yl)ethanol
SMILESCCCCn1nnc(CCO)c1C
InChIInChI=1S/C9H17N3O/c1-3-4-6-12-8(2)9(5-7-13)10-11-12/h13H,3-7H2,1-2H3
InChIKeyCNCZCTSWXGAXNE-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.92
Rot. Bonds5

About 2-(1-butyl-5-methyltriazol-4-yl)ethanol

2-(1-butyl-5-methyltriazol-4-yl)ethanol (PubChem CID 82205579) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(1-butyl-5-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-butyl-5-methyltriazol-4-yl)ethanol
PubChem CID82205579
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(1-butyl-5-methyltriazol-4-yl)ethanol
SMILESCCCCn1nnc(CCO)c1C
InChIInChI=1S/C9H17N3O/c1-3-4-6-12-8(2)9(5-7-13)10-11-12/h13H,3-7H2,1-2H3
InChIKeyCNCZCTSWXGAXNE-UHFFFAOYSA-N
XLogP0.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-4-ethyl-5-methyltriazole
CID 69384801
4-butyl-5-methyl-1-propyltriazole
CID 69381876
[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol
CID 115013739
3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol
CID 82211180
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol
CID 82208862
3-[5-methyl-1-[4-(4-methylphenoxy)butyl]triazol-4-yl]propan-1-ol
CID 82209802
3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol
CID 82210946
[1-butyl-5-(trichloromethyl)triazol-4-yl]methanol
CID 82205459
(1-ethyl-5-methyltriazol-4-yl)methanol
CID 82207210
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
1-decyl-5-methyltriazole-4-carboxylic acid
CID 55049001

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-5-methyltriazol-4-yl)ethanol?
The IUPAC name of 2-(1-butyl-5-methyltriazol-4-yl)ethanol (CID 82205579) is 2-(1-butyl-5-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-butyl-5-methyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(1-butyl-5-methyltriazol-4-yl)ethanol is CCCCn1nnc(CCO)c1C.
What is the InChIKey of 2-(1-butyl-5-methyltriazol-4-yl)ethanol?
The InChIKey is CNCZCTSWXGAXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-4-6-12-8(2)9(5-7-13)10-11-12/h13H,3-7H2,1-2H3.
What are the key properties of 2-(1-butyl-5-methyltriazol-4-yl)ethanol?
2-(1-butyl-5-methyltriazol-4-yl)ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-5-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 82205579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).