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

C9H13Cl2N5O — CID 106279604

IUPAC3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H13Cl2N5O/c1-9(2,7(17)12-3)4-13-6-5(10)15-16-8(11)14-6/h4H2,1-3H3,(H,12,17)(H,13,14,16)
InChIKeyWZSKEMBUVBJGFR-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.36
Rot. Bonds4

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

3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106279604) has the molecular formula C9H13Cl2N5O and a molecular weight of 278.14 g/mol. Its IUPAC name is 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106279604
Molecular FormulaC9H13Cl2N5O
Molecular Weight278.14 g/mol
Exact Mass277.05
IUPAC Name3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H13Cl2N5O/c1-9(2,7(17)12-3)4-13-6-5(10)15-16-8(11)14-6/h4H2,1-3H3,(H,12,17)(H,13,14,16)
InChIKeyWZSKEMBUVBJGFR-UHFFFAOYSA-N
XLogP1.36
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 103823307
2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257443
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279572
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035680
5-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106149370
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167654
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
CID 106098053
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280710
3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823311

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide (CID 106279604) is 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc(Cl)nnc1Cl.
What is the InChIKey of 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is WZSKEMBUVBJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N5O/c1-9(2,7(17)12-3)4-13-6-5(10)15-16-8(11)14-6/h4H2,1-3H3,(H,12,17)(H,13,14,16).
What are the key properties of 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide?
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 278.14 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106279604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).