2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide

C6H7Cl2N5O — CID 81038148

IUPAC2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nc(Cl)nnc1Cl
InChIInChI=1S/C6H7Cl2N5O/c1-13(2-3(9)14)5-4(7)11-12-6(8)10-5/h2H2,1H3,(H2,9,14)
InChIKeyXYIYDNBPKGPEMO-UHFFFAOYSA-N
MW236.06 g/mol
LogP0.10
Rot. Bonds3

About 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide

2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide (PubChem CID 81038148) has the molecular formula C6H7Cl2N5O and a molecular weight of 236.06 g/mol. Its IUPAC name is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide
PubChem CID81038148
Molecular FormulaC6H7Cl2N5O
Molecular Weight236.06 g/mol
Exact Mass235.00
IUPAC Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nc(Cl)nnc1Cl
InChIInChI=1S/C6H7Cl2N5O/c1-13(2-3(9)14)5-4(7)11-12-6(8)10-5/h2H2,1H3,(H2,9,14)
InChIKeyXYIYDNBPKGPEMO-UHFFFAOYSA-N
XLogP0.10
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035717
3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81035201
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide
CID 102761628
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
CID 106098053
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
2-[(3-fluoropyrazin-2-yl)-methylamino]acetamide
CID 164648120
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779123
2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
CID 107056929
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035680
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995629
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide?
The IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide (CID 81038148) is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide.
What is the SMILES notation for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide?
The canonical SMILES for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide is CN(CC(N)=O)c1nc(Cl)nnc1Cl.
What is the InChIKey of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide?
The InChIKey is XYIYDNBPKGPEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N5O/c1-13(2-3(9)14)5-4(7)11-12-6(8)10-5/h2H2,1H3,(H2,9,14).
What are the key properties of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide?
2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide has a molecular weight of 236.06 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide is sourced from PubChem (CID 81038148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).