2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide

C11H15ClN6O — CID 102918554

IUPAC2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H15ClN6O/c1-4-17(6-10(19)16(2)3)9-5-8(12)15-11-13-7-14-18(9)11/h5,7H,4,6H2,1-3H3
InChIKeyDYQWVUBGIAMYEQ-UHFFFAOYSA-N
MW282.74 g/mol
LogP0.69
Rot. Bonds4

About 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide

2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 102918554) has the molecular formula C11H15ClN6O and a molecular weight of 282.74 g/mol. Its IUPAC name is 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID102918554
Molecular FormulaC11H15ClN6O
Molecular Weight282.74 g/mol
Exact Mass282.10
IUPAC Name2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H15ClN6O/c1-4-17(6-10(19)16(2)3)9-5-8(12)15-11-13-7-14-18(9)11/h5,7H,4,6H2,1-3H3
InChIKeyDYQWVUBGIAMYEQ-UHFFFAOYSA-N
XLogP0.69
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.74
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide
CID 102918624
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile
CID 102918635
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919027
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
CID 106917443
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2-methoxyethyl)amino]ethanol
CID 102919142
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069
2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 102919261

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide (CID 102918554) is 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cc(Cl)nc2ncnn12.
What is the InChIKey of 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is DYQWVUBGIAMYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-4-17(6-10(19)16(2)3)9-5-8(12)15-11-13-7-14-18(9)11/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 282.74 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 102918554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).