[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine

C16H17N7O — CID 86653133

IUPAC[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine
SMILESCn1nnnc1C(=NOCc1cccc(CN)n1)c1ccccc1
InChIInChI=1S/C16H17N7O/c1-23-16(19-21-22-23)15(12-6-3-2-4-7-12)20-24-11-14-9-5-8-13(10-17)18-14/h2-9H,10-11,17H2,1H3
InChIKeyPRCODZYNNJSFMR-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.03
Rot. Bonds6

About [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine

[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine (PubChem CID 86653133) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine
PubChem CID86653133
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine
SMILESCn1nnnc1C(=NOCc1cccc(CN)n1)c1ccccc1
InChIInChI=1S/C16H17N7O/c1-23-16(19-21-22-23)15(12-6-3-2-4-7-12)20-24-11-14-9-5-8-13(10-17)18-14/h2-9H,10-11,17H2,1H3
InChIKeyPRCODZYNNJSFMR-UHFFFAOYSA-N
XLogP1.03
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine (CID 86653133) is [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine is Cn1nnnc1C(=NOCc1cccc(CN)n1)c1ccccc1.
What is the InChIKey of [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine?
The InChIKey is PRCODZYNNJSFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-23-16(19-21-22-23)15(12-6-3-2-4-7-12)20-24-11-14-9-5-8-13(10-17)18-14/h2-9H,10-11,17H2,1H3.
What are the key properties of [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine?
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine has a molecular weight of 323.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 86653133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).