N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine

C8H15N5O2 — CID 163792023

IUPACN-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCOc1nc(NC(C)C)nc(N(C)O)n1
InChIInChI=1S/C8H15N5O2/c1-5(2)9-6-10-7(13(3)14)12-8(11-6)15-4/h5,14H,1-4H3,(H,9,10,11,12)
InChIKeyMXPMUJSPJIWFQE-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.53
Rot. Bonds4

About N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine

N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 163792023) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID163792023
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC NameN-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCOc1nc(NC(C)C)nc(N(C)O)n1
InChIInChI=1S/C8H15N5O2/c1-5(2)9-6-10-7(13(3)14)12-8(11-6)15-4/h5,14H,1-4H3,(H,9,10,11,12)
InChIKeyMXPMUJSPJIWFQE-UHFFFAOYSA-N
XLogP0.53
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 163792023) is N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is COc1nc(NC(C)C)nc(N(C)O)n1.
What is the InChIKey of N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is MXPMUJSPJIWFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-5(2)9-6-10-7(13(3)14)12-8(11-6)15-4/h5,14H,1-4H3,(H,9,10,11,12).
What are the key properties of N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 213.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 163792023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).