3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol

C10H19N5O2 — CID 22224

IUPAC3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCc1nc(NCCCO)nc(NCCCO)n1
InChIInChI=1S/C10H19N5O2/c1-8-13-9(11-4-2-6-16)15-10(14-8)12-5-3-7-17/h16-17H,2-7H2,1H3,(H2,11,12,13,14,15)
InChIKeyGVKDGCGOKZNESN-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.23
Rot. Bonds8

About 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol

3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 22224) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID22224
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCc1nc(NCCCO)nc(NCCCO)n1
InChIInChI=1S/C10H19N5O2/c1-8-13-9(11-4-2-6-16)15-10(14-8)12-5-3-7-17/h16-17H,2-7H2,1H3,(H2,11,12,13,14,15)
InChIKeyGVKDGCGOKZNESN-UHFFFAOYSA-N
XLogP-0.23
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 22224) is 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol is Cc1nc(NCCCO)nc(NCCCO)n1.
What is the InChIKey of 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is GVKDGCGOKZNESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-8-13-9(11-4-2-6-16)15-10(14-8)12-5-3-7-17/h16-17H,2-7H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol?
3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 241.29 g/mol, XLogP of -0.23, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 22224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).