N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine

C6H10N6O — CID 87852724

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine
SMILESC=CCN(O)c1nc(N)nc(N)n1
InChIInChI=1S/C6H10N6O/c1-2-3-12(13)6-10-4(7)9-5(8)11-6/h2,13H,1,3H2,(H4,7,8,9,10,11)
InChIKeyCLOYSIWHXPVOAR-UHFFFAOYSA-N
MW182.19 g/mol
LogP-0.58
Rot. Bonds3

About N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine

N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine (PubChem CID 87852724) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine
PubChem CID87852724
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine
SMILESC=CCN(O)c1nc(N)nc(N)n1
InChIInChI=1S/C6H10N6O/c1-2-3-12(13)6-10-4(7)9-5(8)11-6/h2,13H,1,3H2,(H4,7,8,9,10,11)
InChIKeyCLOYSIWHXPVOAR-UHFFFAOYSA-N
XLogP-0.58
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

N2,N2-Di-2-propen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 66682
Oxonazine
CID 168891
N~2~-(Prop-2-en-1-yl)-1,3,5-triazine-2,4,6-triamine
CID 15835051
2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 22118051
2-N-(1-aminoprop-2-enyl)-1,3,5-triazine-2,4,6-triamine
CID 69862567
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-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
CID 88519542
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
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-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine (CID 87852724) is N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine is C=CCN(O)c1nc(N)nc(N)n1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine?
The InChIKey is CLOYSIWHXPVOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c1-2-3-12(13)6-10-4(7)9-5(8)11-6/h2,13H,1,3H2,(H4,7,8,9,10,11).
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine?
N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine has a molecular weight of 182.19 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine is sourced from PubChem (CID 87852724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).