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

C11H20N4O2 — CID 55067182

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cc(CO)nn1)C(C)C
InChIInChI=1S/C11H20N4O2/c1-8(2)15(9(3)4)11(17)6-14-5-10(7-16)12-13-14/h5,8-9,16H,6-7H2,1-4H3
InChIKeySCAZYSXJNIEHRK-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.42
Rot. Bonds5

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

2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 55067182) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID55067182
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cc(CO)nn1)C(C)C
InChIInChI=1S/C11H20N4O2/c1-8(2)15(9(3)4)11(17)6-14-5-10(7-16)12-13-14/h5,8-9,16H,6-7H2,1-4H3
InChIKeySCAZYSXJNIEHRK-UHFFFAOYSA-N
XLogP0.42
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81445204
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]-propan-2-ylamino]acetic acid
CID 113314113
3-[4-[2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-propan-2-ylamino]ethyl]triazol-1-yl]thiophene-2-carboxylic acid
CID 167800379
N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 82202096
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 62400746
2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 115459690
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62399989
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 62055546
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide (CID 55067182) is 2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1cc(CO)nn1)C(C)C.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is SCAZYSXJNIEHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)15(9(3)4)11(17)6-14-5-10(7-16)12-13-14/h5,8-9,16H,6-7H2,1-4H3.
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 240.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 55067182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).