1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine

C9H10N6 — CID 5340519

IUPAC1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine
SMILESCc1ccc(/C=N/n2nnnc2N)cc1
InChIInChI=1S/C9H10N6/c1-7-2-4-8(5-3-7)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+
InChIKeyJFUZSBAWPQCPDK-IZZDOVSWSA-N
MW202.22 g/mol
LogP0.45
Rot. Bonds2

About 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 5340519) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine
PubChem CID5340519
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine
SMILESCc1ccc(/C=N/n2nnnc2N)cc1
InChIInChI=1S/C9H10N6/c1-7-2-4-8(5-3-7)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+
InChIKeyJFUZSBAWPQCPDK-IZZDOVSWSA-N
XLogP0.45
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine
CID 936720
1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine
CID 5409747
1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine
CID 662413
1-[(E)-[4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
CID 5346839
4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2,6-dibromophenol
CID 135765559
5-[(5-aminotetrazol-1-yl)iminomethyl]-4-methyl-2-phenyl-1H-pyrazol-3-one
CID 23996919
1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine
CID 662960
1-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]tetrazol-5-amine
CID 5341841
2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 6858847
1-[[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine
CID 23739153
1-[[4-(diethylamino)-3-nitrophenyl]methylideneamino]tetrazol-5-amine
CID 4116677
1-[(E)-(2-methyltetrazol-5-yl)methylideneamino]tetrazol-5-amine
CID 14642846

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine (CID 5340519) is 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine is Cc1ccc(/C=N/n2nnnc2N)cc1.
What is the InChIKey of 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is JFUZSBAWPQCPDK-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10N6/c1-7-2-4-8(5-3-7)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+.
What are the key properties of 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 202.22 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 5340519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).