N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine

C3H5N5O2 — CID 22947674

IUPACN-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1ncnc(NO)n1
InChIInChI=1S/C3H5N5O2/c9-7-2-4-1-5-3(6-2)8-10/h1,9-10H,(H2,4,5,6,7,8)
InChIKeyYSYNQEVQNGQLIT-UHFFFAOYSA-N
MW143.11 g/mol
LogP-0.53
Rot. Bonds2

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

N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 22947674) has the molecular formula C3H5N5O2 and a molecular weight of 143.11 g/mol. Its IUPAC name is N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID22947674
Molecular FormulaC3H5N5O2
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC NameN-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1ncnc(NO)n1
InChIInChI=1S/C3H5N5O2/c9-7-2-4-1-5-3(6-2)8-10/h1,9-10H,(H2,4,5,6,7,8)
InChIKeyYSYNQEVQNGQLIT-UHFFFAOYSA-N
XLogP-0.53
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
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-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine (CID 22947674) is N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine is ONc1ncnc(NO)n1.
What is the InChIKey of N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is YSYNQEVQNGQLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2/c9-7-2-4-1-5-3(6-2)8-10/h1,9-10H,(H2,4,5,6,7,8).
What are the key properties of N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 143.11 g/mol, XLogP of -0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 22947674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).