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

C11H15ClN6O — CID 102918624

IUPAC2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H15ClN6O/c1-3-4-17(6-9(19)13-2)10-5-8(12)16-11-14-7-15-18(10)11/h5,7H,3-4,6H2,1-2H3,(H,13,19)
InChIKeyHVNWMDDMCBSHAU-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.74
Rot. Bonds5

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

2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide (PubChem CID 102918624) has the molecular formula C11H15ClN6O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide
PubChem CID102918624
Molecular FormulaC11H15ClN6O
Molecular Weight282.73 g/mol
Exact Mass282.10
IUPAC Name2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H15ClN6O/c1-3-4-17(6-9(19)13-2)10-5-8(12)16-11-14-7-15-18(10)11/h5,7H,3-4,6H2,1-2H3,(H,13,19)
InChIKeyHVNWMDDMCBSHAU-UHFFFAOYSA-N
XLogP0.74
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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)-ethylamino]-N,N-dimethylacetamide
CID 102918554
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
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2-methoxyethyl)amino]ethanol
CID 102919142
5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919027
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
N-butyl-N-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63388873
2-[(5-bromo-2-chloropyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 79073261
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide (CID 102918624) is 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1cc(Cl)nc2ncnn12.
What is the InChIKey of 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide?
The InChIKey is HVNWMDDMCBSHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-3-4-17(6-9(19)13-2)10-5-8(12)16-11-14-7-15-18(10)11/h5,7H,3-4,6H2,1-2H3,(H,13,19).
What are the key properties of 2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide?
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide has a molecular weight of 282.73 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 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)-propylamino]-N-methylacetamide is sourced from PubChem (CID 102918624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).