N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine

C8H8N4S — CID 142808322

IUPACN-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine
SMILESCc1nc(NS)c2cnccc2n1
InChIInChI=1S/C8H8N4S/c1-5-10-7-2-3-9-4-6(7)8(11-5)12-13/h2-4,13H,1H3,(H,10,11,12)
InChIKeyUZNZAATZRZLEJK-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.59
Rot. Bonds1

About N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine

N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine (PubChem CID 142808322) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine
PubChem CID142808322
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC NameN-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine
SMILESCc1nc(NS)c2cnccc2n1
InChIInChI=1S/C8H8N4S/c1-5-10-7-2-3-9-4-6(7)8(11-5)12-13/h2-4,13H,1H3,(H,10,11,12)
InChIKeyUZNZAATZRZLEJK-UHFFFAOYSA-N
XLogP1.59
TPSA50.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine?
The IUPAC name of N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine (CID 142808322) is N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine.
What is the SMILES notation for N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine?
The canonical SMILES for N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine is Cc1nc(NS)c2cnccc2n1.
What is the InChIKey of N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine?
The InChIKey is UZNZAATZRZLEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-5-10-7-2-3-9-4-6(7)8(11-5)12-13/h2-4,13H,1H3,(H,10,11,12).
What are the key properties of N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine?
N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine has a molecular weight of 192.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrido[4,3-d]pyrimidin-4-yl)thiohydroxylamine is sourced from PubChem (CID 142808322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).