3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol

C10H21N7OS — CID 106163716

IUPAC3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C10H21N7OS/c1-6(7(5-18)19-4)12-8-13-9(16-11)15-10(14-8)17(2)3/h6-7,18H,5,11H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyQABRPDCIPQCHPQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.25
Rot. Bonds7

About 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol

3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163716) has the molecular formula C10H21N7OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163716
Molecular FormulaC10H21N7OS
Molecular Weight287.39 g/mol
Exact Mass287.15
IUPAC Name3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C10H21N7OS/c1-6(7(5-18)19-4)12-8-13-9(16-11)15-10(14-8)17(2)3/h6-7,18H,5,11H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyQABRPDCIPQCHPQ-UHFFFAOYSA-N
XLogP-0.25
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80921975
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80896860
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80897844
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80896911
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163511
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80849056
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106159136
3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163701
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 62865255
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine
CID 102909000
3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163695
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol (CID 106163716) is 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1nc(NN)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is QABRPDCIPQCHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N7OS/c1-6(7(5-18)19-4)12-8-13-9(16-11)15-10(14-8)17(2)3/h6-7,18H,5,11H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol?
3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 287.39 g/mol, XLogP of -0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).