N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine

C9H8ClN5O — CID 58806352

IUPACN-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine
SMILESCc1nnnn1C(=NO)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN5O/c1-6-11-13-14-15(6)9(12-16)7-3-2-4-8(10)5-7/h2-5,16H,1H3
InChIKeyXZGONEGONQHATG-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.32
Rot. Bonds1

About N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine

N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine (PubChem CID 58806352) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine
PubChem CID58806352
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC NameN-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine
SMILESCc1nnnn1C(=NO)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN5O/c1-6-11-13-14-15(6)9(12-16)7-3-2-4-8(10)5-7/h2-5,16H,1H3
InChIKeyXZGONEGONQHATG-UHFFFAOYSA-N
XLogP1.32
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine (CID 58806352) is N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine is Cc1nnnn1C(=NO)c1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine?
The InChIKey is XZGONEGONQHATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c1-6-11-13-14-15(6)9(12-16)7-3-2-4-8(10)5-7/h2-5,16H,1H3.
What are the key properties of N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine?
N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine has a molecular weight of 237.65 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 58806352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).