2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide

C7H10Br2N4O — CID 90370429

IUPAC2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(Br)nc1Br
InChIInChI=1S/C7H10Br2N4O/c1-4(2)10-5(14)3-13-7(9)11-6(8)12-13/h4H,3H2,1-2H3,(H,10,14)
InChIKeyJCQHGHKONHXLQL-UHFFFAOYSA-N
MW325.99 g/mol
LogP1.33
Rot. Bonds3

About 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide

2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 90370429) has the molecular formula C7H10Br2N4O and a molecular weight of 325.99 g/mol. Its IUPAC name is 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide
PubChem CID90370429
Molecular FormulaC7H10Br2N4O
Molecular Weight325.99 g/mol
Exact Mass323.92
IUPAC Name2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(Br)nc1Br
InChIInChI=1S/C7H10Br2N4O/c1-4(2)10-5(14)3-13-7(9)11-6(8)12-13/h4H,3H2,1-2H3,(H,10,14)
InChIKeyJCQHGHKONHXLQL-UHFFFAOYSA-N
XLogP1.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.99
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide (CID 90370429) is 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc(Br)nc1Br.
What is the InChIKey of 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is JCQHGHKONHXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2N4O/c1-4(2)10-5(14)3-13-7(9)11-6(8)12-13/h4H,3H2,1-2H3,(H,10,14).
What are the key properties of 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide?
2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 325.99 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 90370429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).