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'}

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Related Compounds

1-[(E)-(2-fluorophenyl)methylideneamino]tetrazol-5-amine
CID 6859131
N-(5-amino-1H-tetraazol-1-yl)-N-[2-(trifluoromethyl)benzylidene]amine
CID 6858402
Benzaldehyde, 1H-tetrazol-5-ylhydrazone
CID 9576967
N~1~-[(E)-phenylmethylidene]-1H-tetrazole-1,5-diamine
CID 6859278
1-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-tetrazolamine
CID 6858766
4-fluorobenzaldehyde 1H-tetraazol-5-ylhydrazone
CID 21157311
N~1~-{(1E)-[4-(methylthio)phenyl]methylene}-1H-tetrazole-1,5-diamine
CID 6858403
N~1~-[(E)-(4-fluorophenyl)methylidene]-1H-tetrazole-1,5-diamine
CID 6859174
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
CID 6884689
Benzaldehyde, 2-fluoro-, 5-tetrazolylhydrazone
CID 9589568
1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]tetrazol-5-amine
CID 6869142
4-ethylbenzaldehyde 1H-tetraazol-5-ylhydrazone
CID 9695770

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).