N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine

C17H18N6O3 — CID 3980214

IUPACN-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(OC)c(OC)cc1C=Nn1nnnc1Nc1ccccc1
InChIInChI=1S/C17H18N6O3/c1-24-14-10-16(26-3)15(25-2)9-12(14)11-18-23-17(20-21-22-23)19-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20,22)
InChIKeyRGHFIZDFKWCHKL-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.32
Rot. Bonds7

About N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine

N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 3980214) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound NameN-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID3980214
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(OC)c(OC)cc1C=Nn1nnnc1Nc1ccccc1
InChIInChI=1S/C17H18N6O3/c1-24-14-10-16(26-3)15(25-2)9-12(14)11-18-23-17(20-21-22-23)19-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20,22)
InChIKeyRGHFIZDFKWCHKL-UHFFFAOYSA-N
XLogP2.32
TPSA95.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine (CID 3980214) is N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine is COc1cc(OC)c(OC)cc1C=Nn1nnnc1Nc1ccccc1.
What is the InChIKey of N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is RGHFIZDFKWCHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-24-14-10-16(26-3)15(25-2)9-12(14)11-18-23-17(20-21-22-23)19-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20,22).
What are the key properties of N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 354.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 3980214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).