N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine

C6H8N4O — CID 87733626

IUPACN-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine
SMILESC=CCN(O)c1ncncn1
InChIInChI=1S/C6H8N4O/c1-2-3-10(11)6-8-4-7-5-9-6/h2,4-5,11H,1,3H2
InChIKeyJEFSDRWAIFEBSH-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.25
Rot. Bonds3

About N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine

N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine (PubChem CID 87733626) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine
PubChem CID87733626
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC NameN-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine
SMILESC=CCN(O)c1ncncn1
InChIInChI=1S/C6H8N4O/c1-2-3-10(11)6-8-4-7-5-9-6/h2,4-5,11H,1,3H2
InChIKeyJEFSDRWAIFEBSH-UHFFFAOYSA-N
XLogP0.25
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Allyl(1,3,5-triazin-2-yl)cyanamide
CID 88848466
N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 22987609
[Prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol
CID 70140826
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
N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
CID 88519544
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine
CID 88833490

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine?
The IUPAC name of N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine (CID 87733626) is N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine.
What is the SMILES notation for N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine?
The canonical SMILES for N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine is C=CCN(O)c1ncncn1.
What is the InChIKey of N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine?
The InChIKey is JEFSDRWAIFEBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-2-3-10(11)6-8-4-7-5-9-6/h2,4-5,11H,1,3H2.
What are the key properties of N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine?
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine has a molecular weight of 152.16 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine is sourced from PubChem (CID 87733626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).