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

C6H10N6O2 — CID 88519544

IUPACN-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
SMILESC=CCN(O)c1nc(N)nc(NO)n1
InChIInChI=1S/C6H10N6O2/c1-2-3-12(14)6-9-4(7)8-5(10-6)11-13/h2,13-14H,1,3H2,(H3,7,8,9,10,11)
InChIKeyXURCQCHPALPBCC-UHFFFAOYSA-N
MW198.19 g/mol
LogP-0.36
Rot. Bonds4

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

N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine (PubChem CID 88519544) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine.

Molecular Properties

Compound NameN-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
PubChem CID88519544
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC NameN-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
SMILESC=CCN(O)c1nc(N)nc(NO)n1
InChIInChI=1S/C6H10N6O2/c1-2-3-12(14)6-9-4(7)8-5(10-6)11-13/h2,13-14H,1,3H2,(H3,7,8,9,10,11)
InChIKeyXURCQCHPALPBCC-UHFFFAOYSA-N
XLogP-0.36
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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
[2,6-Diamino-4-[bis(prop-2-enyl)amino]-1,3,5-triazin-1-ium-1-yl] sulfate
CID 12923285
[2,6-Diamino-4-[bis(prop-2-enyl)amino]-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate
CID 12923286
2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 22118051
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-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
CID 88519542
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-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
The IUPAC name of N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine (CID 88519544) is N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine.
What is the SMILES notation for N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
The canonical SMILES for N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine is C=CCN(O)c1nc(N)nc(NO)n1.
What is the InChIKey of N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
The InChIKey is XURCQCHPALPBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2/c1-2-3-12(14)6-9-4(7)8-5(10-6)11-13/h2,13-14H,1,3H2,(H3,7,8,9,10,11).
What are the key properties of N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine has a molecular weight of 198.19 g/mol, XLogP of -0.36, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine is sourced from PubChem (CID 88519544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).