N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine

C8H15N5S — CID 174972661

IUPACN-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine
SMILESCc1nc(N)nc(N(S)C(C)(C)C)n1
InChIInChI=1S/C8H15N5S/c1-5-10-6(9)12-7(11-5)13(14)8(2,3)4/h14H,1-4H3,(H2,9,10,11,12)
InChIKeyHMTDVNRJHPMJRC-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.21
Rot. Bonds1

About N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine

N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine (PubChem CID 174972661) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine.

Molecular Properties

Compound NameN-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine
PubChem CID174972661
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC NameN-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine
SMILESCc1nc(N)nc(N(S)C(C)(C)C)n1
InChIInChI=1S/C8H15N5S/c1-5-10-6(9)12-7(11-5)13(14)8(2,3)4/h14H,1-4H3,(H2,9,10,11,12)
InChIKeyHMTDVNRJHPMJRC-UHFFFAOYSA-N
XLogP1.21
TPSA67.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.21
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-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine?
The IUPAC name of N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine (CID 174972661) is N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine.
What is the SMILES notation for N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine?
The canonical SMILES for N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine is Cc1nc(N)nc(N(S)C(C)(C)C)n1.
What is the InChIKey of N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine?
The InChIKey is HMTDVNRJHPMJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-5-10-6(9)12-7(11-5)13(14)8(2,3)4/h14H,1-4H3,(H2,9,10,11,12).
What are the key properties of N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine?
N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine has a molecular weight of 213.31 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-tert-butylthiohydroxylamine is sourced from PubChem (CID 174972661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).