2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide

C12H22N4O2 — CID 81445204

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(O)c1cn(CC(=O)N(C(C)C)C(C)C)nn1
InChIInChI=1S/C12H22N4O2/c1-8(2)16(9(3)4)12(18)7-15-6-11(10(5)17)13-14-15/h6,8-10,17H,7H2,1-5H3
InChIKeyJDQHPBFSEQPXJZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds5

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide

2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 81445204) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID81445204
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(O)c1cn(CC(=O)N(C(C)C)C(C)C)nn1
InChIInChI=1S/C12H22N4O2/c1-8(2)16(9(3)4)12(18)7-15-6-11(10(5)17)13-14-15/h6,8-10,17H,7H2,1-5H3
InChIKeyJDQHPBFSEQPXJZ-UHFFFAOYSA-N
XLogP0.98
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide (CID 81445204) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide is CC(O)c1cn(CC(=O)N(C(C)C)C(C)C)nn1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is JDQHPBFSEQPXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)16(9(3)4)12(18)7-15-6-11(10(5)17)13-14-15/h6,8-10,17H,7H2,1-5H3.
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 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,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 81445204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).