N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine

C9H17N5S2 — CID 118932890

IUPACN'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
SMILESCCSc1nc(NCCN)nc(SCC)n1
InChIInChI=1S/C9H17N5S2/c1-3-15-8-12-7(11-6-5-10)13-9(14-8)16-4-2/h3-6,10H2,1-2H3,(H,11,12,13,14)
InChIKeyXVAZCGXGQLMGJQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.47
Rot. Bonds7

About N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine

N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine (PubChem CID 118932890) has the molecular formula C9H17N5S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
PubChem CID118932890
Molecular FormulaC9H17N5S2
Molecular Weight259.40 g/mol
Exact Mass259.09
IUPAC NameN'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
SMILESCCSc1nc(NCCN)nc(SCC)n1
InChIInChI=1S/C9H17N5S2/c1-3-15-8-12-7(11-6-5-10)13-9(14-8)16-4-2/h3-6,10H2,1-2H3,(H,11,12,13,14)
InChIKeyXVAZCGXGQLMGJQ-UHFFFAOYSA-N
XLogP1.47
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine (CID 118932890) is N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine is CCSc1nc(NCCN)nc(SCC)n1.
What is the InChIKey of N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine?
The InChIKey is XVAZCGXGQLMGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S2/c1-3-15-8-12-7(11-6-5-10)13-9(14-8)16-4-2/h3-6,10H2,1-2H3,(H,11,12,13,14).
What are the key properties of N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine?
N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine has a molecular weight of 259.40 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 118932890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).