1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C9H18N6O2S — CID 106249098

IUPAC1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCOc1nc(NN)nc(NCC(C)(O)CSC)n1
InChIInChI=1S/C9H18N6O2S/c1-9(16,5-18-3)4-11-6-12-7(15-10)14-8(13-6)17-2/h16H,4-5,10H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyFXUDBHHXPBVQLU-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.31
Rot. Bonds7

About 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106249098) has the molecular formula C9H18N6O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106249098
Molecular FormulaC9H18N6O2S
Molecular Weight274.35 g/mol
Exact Mass274.12
IUPAC Name1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCOc1nc(NN)nc(NCC(C)(O)CSC)n1
InChIInChI=1S/C9H18N6O2S/c1-9(16,5-18-3)4-11-6-12-7(15-10)14-8(13-6)17-2/h16H,4-5,10H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyFXUDBHHXPBVQLU-UHFFFAOYSA-N
XLogP-0.31
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.31
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 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249090
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943261
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470
1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 114163918
4-hydrazinyl-6-methoxy-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80920216
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056
1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249085
6-methoxy-4-N-methyl-2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113479536
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 80923595
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 113244350

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106249098) is 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is COc1nc(NN)nc(NCC(C)(O)CSC)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is FXUDBHHXPBVQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2S/c1-9(16,5-18-3)4-11-6-12-7(15-10)14-8(13-6)17-2/h16H,4-5,10H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 274.35 g/mol, XLogP of -0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106249098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).