N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide

C9H16N4O — CID 121445192

IUPACN-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide
SMILESCC(C)(C)CNC(=O)Cn1ccnn1
InChIInChI=1S/C9H16N4O/c1-9(2,3)7-10-8(14)6-13-5-4-11-12-13/h4-5H,6-7H2,1-3H3,(H,10,14)
InChIKeyJDPFOAFYQZAYFW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.44
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide

N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide (PubChem CID 121445192) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide
PubChem CID121445192
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide
SMILESCC(C)(C)CNC(=O)Cn1ccnn1
InChIInChI=1S/C9H16N4O/c1-9(2,3)7-10-8(14)6-13-5-4-11-12-13/h4-5H,6-7H2,1-3H3,(H,10,14)
InChIKeyJDPFOAFYQZAYFW-UHFFFAOYSA-N
XLogP0.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide (CID 121445192) is N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide is CC(C)(C)CNC(=O)Cn1ccnn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide?
The InChIKey is JDPFOAFYQZAYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,3)7-10-8(14)6-13-5-4-11-12-13/h4-5H,6-7H2,1-3H3,(H,10,14).
What are the key properties of N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide?
N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide has a molecular weight of 196.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 121445192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).