O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine

C4H9N5O — CID 129117227

IUPACO-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine
SMILESCc1nnn(CCON)n1
InChIInChI=1S/C4H9N5O/c1-4-6-8-9(7-4)2-3-10-5/h2-3,5H2,1H3
InChIKeyCQKYELNHJBSGHH-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.13
Rot. Bonds3

About O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine

O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine (PubChem CID 129117227) has the molecular formula C4H9N5O and a molecular weight of 143.15 g/mol. Its IUPAC name is O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine
PubChem CID129117227
Molecular FormulaC4H9N5O
Molecular Weight143.15 g/mol
Exact Mass143.08
IUPAC NameO-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine
SMILESCc1nnn(CCON)n1
InChIInChI=1S/C4H9N5O/c1-4-6-8-9(7-4)2-3-10-5/h2-3,5H2,1H3
InChIKeyCQKYELNHJBSGHH-UHFFFAOYSA-N
XLogP-1.13
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine (CID 129117227) is O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine is Cc1nnn(CCON)n1.
What is the InChIKey of O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine?
The InChIKey is CQKYELNHJBSGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O/c1-4-6-8-9(7-4)2-3-10-5/h2-3,5H2,1H3.
What are the key properties of O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine?
O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine has a molecular weight of 143.15 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine is sourced from PubChem (CID 129117227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).