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

C11H22N6O2S — CID 106249090

IUPAC1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCCOc1nc(NN)nc(NCC(C)(O)CSC)n1
InChIInChI=1S/C11H22N6O2S/c1-4-5-19-10-15-8(14-9(16-10)17-12)13-6-11(2,18)7-20-3/h18H,4-7,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyZCWBLVIURZIHOP-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.47
Rot. Bonds9

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

1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106249090) has the molecular formula C11H22N6O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106249090
Molecular FormulaC11H22N6O2S
Molecular Weight302.40 g/mol
Exact Mass302.15
IUPAC Name1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCCOc1nc(NN)nc(NCC(C)(O)CSC)n1
InChIInChI=1S/C11H22N6O2S/c1-4-5-19-10-15-8(14-9(16-10)17-12)13-6-11(2,18)7-20-3/h18H,4-7,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyZCWBLVIURZIHOP-UHFFFAOYSA-N
XLogP0.47
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106249090) is 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CCCOc1nc(NN)nc(NCC(C)(O)CSC)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is ZCWBLVIURZIHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2S/c1-4-5-19-10-15-8(14-9(16-10)17-12)13-6-11(2,18)7-20-3/h18H,4-7,12H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 302.40 g/mol, XLogP of 0.47, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106249090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).