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

C5H9N5O2 — CID 123338194

IUPACN-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCN(O)c1ncnc(N(C)O)n1
InChIInChI=1S/C5H9N5O2/c1-9(11)4-6-3-7-5(8-4)10(2)12/h3,11-12H,1-2H3
InChIKeySMCPGPRZTYIHSN-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.48
Rot. Bonds2

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

N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine (PubChem CID 123338194) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
PubChem CID123338194
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC NameN-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
SMILESCN(O)c1ncnc(N(C)O)n1
InChIInChI=1S/C5H9N5O2/c1-9(11)4-6-3-7-5(8-4)10(2)12/h3,11-12H,1-2H3
InChIKeySMCPGPRZTYIHSN-UHFFFAOYSA-N
XLogP-0.48
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.48
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-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine (CID 123338194) is N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine is CN(O)c1ncnc(N(C)O)n1.
What is the InChIKey of N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
The InChIKey is SMCPGPRZTYIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-9(11)4-6-3-7-5(8-4)10(2)12/h3,11-12H,1-2H3.
What are the key properties of N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine?
N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine has a molecular weight of 171.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 123338194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).