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'}

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Related Compounds

Ametryn
CID 13263
Terbutryn
CID 13450
Prometryn
CID 4929
Irgarol
CID 91590
Simetryn
CID 13905
Desmetryn
CID 13904
Dimethametryn
CID 31573
Dipropetryn
CID 20105
Deethylametryne
CID 608030
Prometryn sulfoxide
CID 537563
Deisopropylametryne
CID 603744
1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylsulfinyl)-
CID 157663

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).