1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine

C7H7N7 — CID 6859229

IUPAC1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccn1
InChIInChI=1S/C7H7N7/c8-7-11-12-13-14(7)10-5-6-3-1-2-4-9-6/h1-5H,(H2,8,11,13)/b10-5+
InChIKeyFPNUEHDMQDJNTF-BJMVGYQFSA-N
MW189.18 g/mol
LogP-0.47
Rot. Bonds2

About 1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine

1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine (PubChem CID 6859229) has the molecular formula C7H7N7 and a molecular weight of 189.18 g/mol. Its IUPAC name is 1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine
PubChem CID6859229
Molecular FormulaC7H7N7
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C/c1ccccn1
InChIInChI=1S/C7H7N7/c8-7-11-12-13-14(7)10-5-6-3-1-2-4-9-6/h1-5H,(H2,8,11,13)/b10-5+
InChIKeyFPNUEHDMQDJNTF-BJMVGYQFSA-N
XLogP-0.47
TPSA94.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
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)-pyridin-2-ylmethylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine (CID 6859229) is 1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C/c1ccccn1.
What is the InChIKey of 1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine?
The InChIKey is FPNUEHDMQDJNTF-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H7N7/c8-7-11-12-13-14(7)10-5-6-3-1-2-4-9-6/h1-5H,(H2,8,11,13)/b10-5+.
What are the key properties of 1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine?
1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine has a molecular weight of 189.18 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pyridin-2-ylmethylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6859229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).