3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide

C10H17N5O — CID 104918906

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide
SMILESCc1nnc(NCC(C)(C)C(N)=O)nc1C
InChIInChI=1S/C10H17N5O/c1-6-7(2)14-15-9(13-6)12-5-10(3,4)8(11)16/h5H2,1-4H3,(H2,11,16)(H,12,13,15)
InChIKeySADFXOMSOFIRIZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds4

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

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide (PubChem CID 104918906) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide
PubChem CID104918906
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide
SMILESCc1nnc(NCC(C)(C)C(N)=O)nc1C
InChIInChI=1S/C10H17N5O/c1-6-7(2)14-15-9(13-6)12-5-10(3,4)8(11)16/h5H2,1-4H3,(H2,11,16)(H,12,13,15)
InChIKeySADFXOMSOFIRIZ-UHFFFAOYSA-N
XLogP0.41
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid
CID 114786134
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 114448156
methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate
CID 114786539
3-[(4-carbamothioyl-5,6-dimethylpyridazin-3-yl)amino]-2,2-dimethylpropanamide
CID 106277533
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide
CID 114387575
2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-3-methylbutanoic acid
CID 114786050
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 114386977
2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide
CID 114387555
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]but-2-yn-1-ol
CID 130657687
2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
CID 114387513
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277189
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide
CID 106280499

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide (CID 104918906) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide is Cc1nnc(NCC(C)(C)C(N)=O)nc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is SADFXOMSOFIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6-7(2)14-15-9(13-6)12-5-10(3,4)8(11)16/h5H2,1-4H3,(H2,11,16)(H,12,13,15).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 223.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 104918906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).