1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine

C7H8N6O — CID 662413

IUPAC1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine
SMILESCc1ccc(C=Nn2nnnc2N)o1
InChIInChI=1S/C7H8N6O/c1-5-2-3-6(14-5)4-9-13-7(8)10-11-12-13/h2-4H,1H3,(H2,8,10,12)
InChIKeyZKBWTTJXLBXQBL-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.04
Rot. Bonds2

About 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine

1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine (PubChem CID 662413) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine
PubChem CID662413
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine
SMILESCc1ccc(C=Nn2nnnc2N)o1
InChIInChI=1S/C7H8N6O/c1-5-2-3-6(14-5)4-9-13-7(8)10-11-12-13/h2-4H,1H3,(H2,8,10,12)
InChIKeyZKBWTTJXLBXQBL-UHFFFAOYSA-N
XLogP0.04
TPSA95.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(5-methylfuran-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine (CID 662413) is 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine is Cc1ccc(C=Nn2nnnc2N)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine?
The InChIKey is ZKBWTTJXLBXQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-5-2-3-6(14-5)4-9-13-7(8)10-11-12-13/h2-4H,1H3,(H2,8,10,12).
What are the key properties of 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine?
1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine has a molecular weight of 192.18 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 662413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).