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

C8H17N7O2 — CID 80921975

IUPAC3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCN(C)c1nc(NN)nc(NCC(O)CO)n1
InChIInChI=1S/C8H17N7O2/c1-15(2)8-12-6(10-3-5(17)4-16)11-7(13-8)14-9/h5,16-17H,3-4,9H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyILDRUJNOVQPWKL-UHFFFAOYSA-N
MW243.27 g/mol
LogP-2.01
Rot. Bonds6

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

3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol (PubChem CID 80921975) has the molecular formula C8H17N7O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
PubChem CID80921975
Molecular FormulaC8H17N7O2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCN(C)c1nc(NN)nc(NCC(O)CO)n1
InChIInChI=1S/C8H17N7O2/c1-15(2)8-12-6(10-3-5(17)4-16)11-7(13-8)14-9/h5,16-17H,3-4,9H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyILDRUJNOVQPWKL-UHFFFAOYSA-N
XLogP-2.01
TPSA132.45 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
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]propane-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol (CID 80921975) is 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol is CN(C)c1nc(NN)nc(NCC(O)CO)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The InChIKey is ILDRUJNOVQPWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7O2/c1-15(2)8-12-6(10-3-5(17)4-16)11-7(13-8)14-9/h5,16-17H,3-4,9H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol has a molecular weight of 243.27 g/mol, XLogP of -2.01, 6 rotatable bonds, 5 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]propane-1,2-diol is sourced from PubChem (CID 80921975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).