N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine

C5H10N6O2 — CID 18366385

IUPACN-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCN(O)c1nc(N)nc(N(C)O)n1
InChIInChI=1S/C5H10N6O2/c1-10(12)4-7-3(6)8-5(9-4)11(2)13/h12-13H,1-2H3,(H2,6,7,8,9)
InChIKeyVXAKEDQHKAFBCR-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.90
Rot. Bonds2

About N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine

N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 18366385) has the molecular formula C5H10N6O2 and a molecular weight of 186.18 g/mol. Its IUPAC name is N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID18366385
Molecular FormulaC5H10N6O2
Molecular Weight186.18 g/mol
Exact Mass186.09
IUPAC NameN-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCN(O)c1nc(N)nc(N(C)O)n1
InChIInChI=1S/C5H10N6O2/c1-10(12)4-7-3(6)8-5(9-4)11(2)13/h12-13H,1-2H3,(H2,6,7,8,9)
InChIKeyVXAKEDQHKAFBCR-UHFFFAOYSA-N
XLogP-0.90
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 18366385) is N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine is CN(O)c1nc(N)nc(N(C)O)n1.
What is the InChIKey of N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is VXAKEDQHKAFBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O2/c1-10(12)4-7-3(6)8-5(9-4)11(2)13/h12-13H,1-2H3,(H2,6,7,8,9).
What are the key properties of N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 186.18 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 18366385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).