N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine

C6H11N5O2 — CID 4640921

IUPACN-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine
SMILESCOc1nc(NO)nc(N(C)C)n1
InChIInChI=1S/C6H11N5O2/c1-11(2)5-7-4(10-12)8-6(9-5)13-3/h12H,1-3H3,(H,7,8,9,10)
InChIKeyHVGVCBRONFNQIM-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.25
Rot. Bonds3

About N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine

N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 4640921) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID4640921
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC NameN-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine
SMILESCOc1nc(NO)nc(N(C)C)n1
InChIInChI=1S/C6H11N5O2/c1-11(2)5-7-4(10-12)8-6(9-5)13-3/h12H,1-3H3,(H,7,8,9,10)
InChIKeyHVGVCBRONFNQIM-UHFFFAOYSA-N
XLogP-0.25
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.25
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-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine (CID 4640921) is N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine is COc1nc(NO)nc(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is HVGVCBRONFNQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-11(2)5-7-4(10-12)8-6(9-5)13-3/h12H,1-3H3,(H,7,8,9,10).
What are the key properties of N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine?
N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 185.19 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 4640921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).