N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine

C6H10N6O3 — CID 88519542

IUPACN-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
SMILESC=CCN(O)c1nc(N)nc(N(O)O)n1
InChIInChI=1S/C6H10N6O3/c1-2-3-11(13)5-8-4(7)9-6(10-5)12(14)15/h2,13-15H,1,3H2,(H2,7,8,9,10)
InChIKeyGNXVXLFWAZFFMM-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.58
Rot. Bonds4

About N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine

N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine (PubChem CID 88519542) has the molecular formula C6H10N6O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine.

Molecular Properties

Compound NameN-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
PubChem CID88519542
Molecular FormulaC6H10N6O3
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC NameN-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
SMILESC=CCN(O)c1nc(N)nc(N(O)O)n1
InChIInChI=1S/C6H10N6O3/c1-2-3-11(13)5-8-4(7)9-6(10-5)12(14)15/h2,13-15H,1,3H2,(H2,7,8,9,10)
InChIKeyGNXVXLFWAZFFMM-UHFFFAOYSA-N
XLogP-0.58
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Oxonazine
CID 168891
2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 87199239
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine
CID 87733626
N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine
CID 87852724
N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
CID 88519544
2-N-ethenoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 117665074
(4,6-Diamino-1,3,5-triazin-2-yl)-prop-2-enylsulfamic acid
CID 118433692
N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
CID 141440399
N-[4-(hydroxyamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 156266620

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
The IUPAC name of N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine (CID 88519542) is N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine.
What is the SMILES notation for N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
The canonical SMILES for N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine is C=CCN(O)c1nc(N)nc(N(O)O)n1.
What is the InChIKey of N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
The InChIKey is GNXVXLFWAZFFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O3/c1-2-3-11(13)5-8-4(7)9-6(10-5)12(14)15/h2,13-15H,1,3H2,(H2,7,8,9,10).
What are the key properties of N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine has a molecular weight of 214.18 g/mol, XLogP of -0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine is sourced from PubChem (CID 88519542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).