N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine

C4H5N5O — CID 174530896

IUPACN-[1-(tetrazin-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cnnnn1
InChIInChI=1S/C4H5N5O/c1-3(7-10)4-2-5-8-9-6-4/h2,10H,1H3
InChIKeyJXJMBSFNWLEVBV-UHFFFAOYSA-N
MW139.12 g/mol
LogP-0.54
Rot. Bonds1

About N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine

N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine (PubChem CID 174530896) has the molecular formula C4H5N5O and a molecular weight of 139.12 g/mol. Its IUPAC name is N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(tetrazin-5-yl)ethylidene]hydroxylamine
PubChem CID174530896
Molecular FormulaC4H5N5O
Molecular Weight139.12 g/mol
Exact Mass139.05
IUPAC NameN-[1-(tetrazin-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cnnnn1
InChIInChI=1S/C4H5N5O/c1-3(7-10)4-2-5-8-9-6-4/h2,10H,1H3
InChIKeyJXJMBSFNWLEVBV-UHFFFAOYSA-N
XLogP-0.54
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine (CID 174530896) is N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine is CC(=NO)c1cnnnn1.
What is the InChIKey of N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine?
The InChIKey is JXJMBSFNWLEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O/c1-3(7-10)4-2-5-8-9-6-4/h2,10H,1H3.
What are the key properties of N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine?
N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine has a molecular weight of 139.12 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tetrazin-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 174530896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).