N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine

C17H18N6 — CID 5336126

IUPACN-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine
SMILESCC(C)c1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1
InChIInChI=1S/C17H18N6/c1-13(2)15-10-8-14(9-11-15)12-18-23-17(20-21-22-23)19-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,19,20,22)/b18-12+
InChIKeyNDBDOKCUTOJIHW-LDADJPATSA-N
MW306.37 g/mol
LogP3.42
Rot. Bonds5

About N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine

N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 5336126) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound NameN-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine
PubChem CID5336126
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine
SMILESCC(C)c1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1
InChIInChI=1S/C17H18N6/c1-13(2)15-10-8-14(9-11-15)12-18-23-17(20-21-22-23)19-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,19,20,22)/b18-12+
InChIKeyNDBDOKCUTOJIHW-LDADJPATSA-N
XLogP3.42
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.42
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 N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine (CID 5336126) is N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine is CC(C)c1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is NDBDOKCUTOJIHW-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N6/c1-13(2)15-10-8-14(9-11-15)12-18-23-17(20-21-22-23)19-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,19,20,22)/b18-12+.
What are the key properties of N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine?
N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 306.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 5336126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).