N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide

C8H14N4O — CID 47006624

IUPACN-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cncn1
InChIInChI=1S/C8H14N4O/c1-8(2,3)11-7(13)4-12-6-9-5-10-12/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyMHJRPAPXEBDWAB-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.19
Rot. Bonds2

About N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide

N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 47006624) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID47006624
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cncn1
InChIInChI=1S/C8H14N4O/c1-8(2,3)11-7(13)4-12-6-9-5-10-12/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyMHJRPAPXEBDWAB-UHFFFAOYSA-N
XLogP0.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide (CID 47006624) is N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide is CC(C)(C)NC(=O)Cn1cncn1.
What is the InChIKey of N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is MHJRPAPXEBDWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)11-7(13)4-12-6-9-5-10-12/h5-6H,4H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide?
N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 182.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 47006624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).