2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide

C11H20N4O2 — CID 80744115

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cc(C(C)O)nn1
InChIInChI=1S/C11H20N4O2/c1-8(2)4-5-12-11(17)7-15-6-10(9(3)16)13-14-15/h6,8-9,16H,4-5,7H2,1-3H3,(H,12,17)
InChIKeyFPZLYIWPGGLJLR-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.49
Rot. Bonds6

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 80744115) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID80744115
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cc(C(C)O)nn1
InChIInChI=1S/C11H20N4O2/c1-8(2)4-5-12-11(17)7-15-6-10(9(3)16)13-14-15/h6,8-9,16H,4-5,7H2,1-3H3,(H,12,17)
InChIKeyFPZLYIWPGGLJLR-UHFFFAOYSA-N
XLogP0.49
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 81444411
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 80743458
methyl N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]carbamate
CID 81443796
methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
CID 95721059
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81444598
N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419547
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 80735511
1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622293
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81445204
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62401323

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide (CID 80744115) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1cc(C(C)O)nn1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is FPZLYIWPGGLJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)4-5-12-11(17)7-15-6-10(9(3)16)13-14-15/h6,8-9,16H,4-5,7H2,1-3H3,(H,12,17).
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 240.31 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 80744115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).