1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine

C7H10N8 — CID 662571

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine
SMILESCc1nn(C)cc1C=Nn1nnnc1N
InChIInChI=1S/C7H10N8/c1-5-6(4-14(2)11-5)3-9-15-7(8)10-12-13-15/h3-4H,1-2H3,(H2,8,10,13)
InChIKeyGARPYAXHSOTQLG-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.82
Rot. Bonds2

About 1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine

1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine (PubChem CID 662571) has the molecular formula C7H10N8 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine
PubChem CID662571
Molecular FormulaC7H10N8
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine
SMILESCc1nn(C)cc1C=Nn1nnnc1N
InChIInChI=1S/C7H10N8/c1-5-6(4-14(2)11-5)3-9-15-7(8)10-12-13-15/h3-4H,1-2H3,(H2,8,10,13)
InChIKeyGARPYAXHSOTQLG-UHFFFAOYSA-N
XLogP-0.82
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine (CID 662571) is 1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine is Cc1nn(C)cc1C=Nn1nnnc1N.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine?
The InChIKey is GARPYAXHSOTQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N8/c1-5-6(4-14(2)11-5)3-9-15-7(8)10-12-13-15/h3-4H,1-2H3,(H2,8,10,13).
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine?
1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine has a molecular weight of 206.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 662571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).