N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine

C9H12N4S — CID 66668601

IUPACN-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine
SMILESC=CCNc1ncnc(SCC=C)n1
InChIInChI=1S/C9H12N4S/c1-3-5-10-8-11-7-12-9(13-8)14-6-4-2/h3-4,7H,1-2,5-6H2,(H,10,11,12,13)
InChIKeySWCDFUXMPDRGDP-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.75
Rot. Bonds6

About N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine

N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 66668601) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine
PubChem CID66668601
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine
SMILESC=CCNc1ncnc(SCC=C)n1
InChIInChI=1S/C9H12N4S/c1-3-5-10-8-11-7-12-9(13-8)14-6-4-2/h3-4,7H,1-2,5-6H2,(H,10,11,12,13)
InChIKeySWCDFUXMPDRGDP-UHFFFAOYSA-N
XLogP1.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine (CID 66668601) is N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine is C=CCNc1ncnc(SCC=C)n1.
What is the InChIKey of N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is SWCDFUXMPDRGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-3-5-10-8-11-7-12-9(13-8)14-6-4-2/h3-4,7H,1-2,5-6H2,(H,10,11,12,13).
What are the key properties of N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine?
N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 208.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-prop-2-enylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66668601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).