1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine

C19H16N6 — CID 23959036

IUPAC1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
SMILESCc1ccc(C=Nn2nnnc2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16N6/c1-14-9-11-15(12-10-14)13-20-25-19(22-23-24-25)21-18-8-4-6-16-5-2-3-7-17(16)18/h2-13H,1H3,(H,21,22,24)
InChIKeyNLJROESKIOBXOI-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.76
Rot. Bonds4

About 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine

1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine (PubChem CID 23959036) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
PubChem CID23959036
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
SMILESCc1ccc(C=Nn2nnnc2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16N6/c1-14-9-11-15(12-10-14)13-20-25-19(22-23-24-25)21-18-8-4-6-16-5-2-3-7-17(16)18/h2-13H,1H3,(H,21,22,24)
InChIKeyNLJROESKIOBXOI-UHFFFAOYSA-N
XLogP3.76
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
The IUPAC name of 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine (CID 23959036) is 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine.
What is the SMILES notation for 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
The canonical SMILES for 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine is Cc1ccc(C=Nn2nnnc2Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
The InChIKey is NLJROESKIOBXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c1-14-9-11-15(12-10-14)13-20-25-19(22-23-24-25)21-18-8-4-6-16-5-2-3-7-17(16)18/h2-13H,1H3,(H,21,22,24).
What are the key properties of 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine has a molecular weight of 328.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine is sourced from PubChem (CID 23959036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).