1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine

C11H10N8 — CID 135470951

IUPAC1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C11H10N8/c12-11-16-17-18-19(11)14-7-9-6-13-15-10(9)8-4-2-1-3-5-8/h1-7H,(H,13,15)(H2,12,16,18)/b14-7+
InChIKeyUCEFIEPMBFMLJE-VGOFMYFVSA-N
MW254.26 g/mol
LogP0.53
Rot. Bonds3

About 1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine

1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine (PubChem CID 135470951) has the molecular formula C11H10N8 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine
PubChem CID135470951
Molecular FormulaC11H10N8
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C11H10N8/c12-11-16-17-18-19(11)14-7-9-6-13-15-10(9)8-4-2-1-3-5-8/h1-7H,(H,13,15)(H2,12,16,18)/b14-7+
InChIKeyUCEFIEPMBFMLJE-VGOFMYFVSA-N
XLogP0.53
TPSA110.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
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-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine (CID 135470951) is 1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C/c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine?
The InChIKey is UCEFIEPMBFMLJE-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H10N8/c12-11-16-17-18-19(11)14-7-9-6-13-15-10(9)8-4-2-1-3-5-8/h1-7H,(H,13,15)(H2,12,16,18)/b14-7+.
What are the key properties of 1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine?
1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine has a molecular weight of 254.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 135470951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).