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

C11H14N6 — CID 936720

IUPAC1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine
SMILESCC(C)c1ccc(C=Nn2nnnc2N)cc1
InChIInChI=1S/C11H14N6/c1-8(2)10-5-3-9(4-6-10)7-13-17-11(12)14-15-16-17/h3-8H,1-2H3,(H2,12,14,16)
InChIKeyHCUWNXSFCMCRBT-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.26
Rot. Bonds3

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

1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 936720) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine
PubChem CID936720
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine
SMILESCC(C)c1ccc(C=Nn2nnnc2N)cc1
InChIInChI=1S/C11H14N6/c1-8(2)10-5-3-9(4-6-10)7-13-17-11(12)14-15-16-17/h3-8H,1-2H3,(H2,12,14,16)
InChIKeyHCUWNXSFCMCRBT-UHFFFAOYSA-N
XLogP1.26
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.26
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 1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine (CID 936720) is 1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine is CC(C)c1ccc(C=Nn2nnnc2N)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is HCUWNXSFCMCRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-8(2)10-5-3-9(4-6-10)7-13-17-11(12)14-15-16-17/h3-8H,1-2H3,(H2,12,14,16).
What are the key properties of 1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine?
1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 230.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 936720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).