1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine

C16H16N6O — CID 23961359

IUPAC1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine
SMILESCOc1ccc(C(C)=Nn2nnnc2Nc2ccccc2)cc1
InChIInChI=1S/C16H16N6O/c1-12(13-8-10-15(23-2)11-9-13)19-22-16(18-20-21-22)17-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,17,18,21)
InChIKeyMOLSKQDTEPDRGR-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.70
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine

1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine (PubChem CID 23961359) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine
PubChem CID23961359
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine
SMILESCOc1ccc(C(C)=Nn2nnnc2Nc2ccccc2)cc1
InChIInChI=1S/C16H16N6O/c1-12(13-8-10-15(23-2)11-9-13)19-22-16(18-20-21-22)17-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,17,18,21)
InChIKeyMOLSKQDTEPDRGR-UHFFFAOYSA-N
XLogP2.70
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine (CID 23961359) is 1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine is COc1ccc(C(C)=Nn2nnnc2Nc2ccccc2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine?
The InChIKey is MOLSKQDTEPDRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-12(13-8-10-15(23-2)11-9-13)19-22-16(18-20-21-22)17-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,17,18,21).
What are the key properties of 1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine?
1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine has a molecular weight of 308.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine is sourced from PubChem (CID 23961359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).