N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine

C10H19N5S — CID 151492954

IUPACN-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine
SMILESCCNc1nc(C)nc(N(S)C(C)(C)C)n1
InChIInChI=1S/C10H19N5S/c1-6-11-8-12-7(2)13-9(14-8)15(16)10(3,4)5/h16H,6H2,1-5H3,(H,11,12,13,14)
InChIKeyPOVPBKAZGIRTLD-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.06
Rot. Bonds3

About N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine

N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine (PubChem CID 151492954) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine
PubChem CID151492954
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC NameN-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine
SMILESCCNc1nc(C)nc(N(S)C(C)(C)C)n1
InChIInChI=1S/C10H19N5S/c1-6-11-8-12-7(2)13-9(14-8)15(16)10(3,4)5/h16H,6H2,1-5H3,(H,11,12,13,14)
InChIKeyPOVPBKAZGIRTLD-UHFFFAOYSA-N
XLogP2.06
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine?
The IUPAC name of N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine (CID 151492954) is N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine.
What is the SMILES notation for N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine?
The canonical SMILES for N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine is CCNc1nc(C)nc(N(S)C(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine?
The InChIKey is POVPBKAZGIRTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-6-11-8-12-7(2)13-9(14-8)15(16)10(3,4)5/h16H,6H2,1-5H3,(H,11,12,13,14).
What are the key properties of N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine?
N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine has a molecular weight of 241.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine is sourced from PubChem (CID 151492954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).