3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile

C10H17N7 — CID 80754392

IUPAC3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile
SMILESCNc1nc(N(C)C)nc(N(C)CCC#N)n1
InChIInChI=1S/C10H17N7/c1-12-8-13-9(16(2)3)15-10(14-8)17(4)7-5-6-11/h5,7H2,1-4H3,(H,12,13,14,15)
InChIKeyFITQPXJJYYZBQR-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.33
Rot. Bonds5

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

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile (PubChem CID 80754392) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile
PubChem CID80754392
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile
SMILESCNc1nc(N(C)C)nc(N(C)CCC#N)n1
InChIInChI=1S/C10H17N7/c1-12-8-13-9(16(2)3)15-10(14-8)17(4)7-5-6-11/h5,7H2,1-4H3,(H,12,13,14,15)
InChIKeyFITQPXJJYYZBQR-UHFFFAOYSA-N
XLogP0.33
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N,4-N,6-N-tetramethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80774094
2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 112667746
2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80773692
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
CID 80810624
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 105420994
3-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]propanenitrile
CID 115354838
3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile
CID 105362232
4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918721
2-N,4-N,4-N,6-N-tetramethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80812522
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 113426550
1-[[4-[2-(dimethylamino)ethyl-methylamino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 110172869

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile?
The IUPAC name of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile (CID 80754392) is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile?
The canonical SMILES for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile is CNc1nc(N(C)C)nc(N(C)CCC#N)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile?
The InChIKey is FITQPXJJYYZBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-12-8-13-9(16(2)3)15-10(14-8)17(4)7-5-6-11/h5,7H2,1-4H3,(H,12,13,14,15).
What are the key properties of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile?
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile has a molecular weight of 235.29 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile is sourced from PubChem (CID 80754392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).