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

C5H5Cl2N5O — CID 81035680

IUPAC2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
SMILESNC(=O)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H5Cl2N5O/c6-3-4(9-1-2(8)13)10-5(7)12-11-3/h1H2,(H2,8,13)(H,9,10,12)
InChIKeyGCZUXBWRNBEBFI-UHFFFAOYSA-N
MW222.03 g/mol
LogP0.08
Rot. Bonds3

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

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide (PubChem CID 81035680) has the molecular formula C5H5Cl2N5O and a molecular weight of 222.03 g/mol. Its IUPAC name is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
PubChem CID81035680
Molecular FormulaC5H5Cl2N5O
Molecular Weight222.03 g/mol
Exact Mass220.99
IUPAC Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
SMILESNC(=O)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H5Cl2N5O/c6-3-4(9-1-2(8)13)10-5(7)12-11-3/h1H2,(H2,8,13)(H,9,10,12)
InChIKeyGCZUXBWRNBEBFI-UHFFFAOYSA-N
XLogP0.08
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
CID 106098053
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106279604
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 80970188
3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine
CID 130631788
3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257443
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide
CID 106341533
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
CID 106192567
5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106149370
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide?
The IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide (CID 81035680) is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide.
What is the SMILES notation for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide?
The canonical SMILES for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide is NC(=O)CNc1nc(Cl)nnc1Cl.
What is the InChIKey of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide?
The InChIKey is GCZUXBWRNBEBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N5O/c6-3-4(9-1-2(8)13)10-5(7)12-11-3/h1H2,(H2,8,13)(H,9,10,12).
What are the key properties of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide?
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide has a molecular weight of 222.03 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 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)amino]acetamide is sourced from PubChem (CID 81035680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).