4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine

C7H11N7S — CID 3032472

IUPAC4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N=[N+]=[N-])nc(NC(C)C)n1
InChIInChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)
InChIKeyAFIIBUOYKYSPKB-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.36
Rot. Bonds4

About 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine

4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 3032472) has the molecular formula C7H11N7S and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID3032472
Molecular FormulaC7H11N7S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N=[N+]=[N-])nc(NC(C)C)n1
InChIInChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)
InChIKeyAFIIBUOYKYSPKB-UHFFFAOYSA-N
XLogP2.36
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine 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 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 3032472) is 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine is CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1.
What is the InChIKey of 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is AFIIBUOYKYSPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12).
What are the key properties of 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine?
4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 225.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3032472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).