4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid

C10H13N5O2 — CID 23453928

IUPAC4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid
SMILESNNc1cc2c(nn1)CC1CCC2N1C(=O)O
InChIInChI=1S/C10H13N5O2/c11-12-9-4-6-7(13-14-9)3-5-1-2-8(6)15(5)10(16)17/h4-5,8H,1-3,11H2,(H,12,14)(H,16,17)
InChIKeyIFKLEXMVWJBULO-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.50
Rot. Bonds1

About 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid

4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid (PubChem CID 23453928) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid.

Molecular Properties

Compound Name4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid
PubChem CID23453928
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid
SMILESNNc1cc2c(nn1)CC1CCC2N1C(=O)O
InChIInChI=1S/C10H13N5O2/c11-12-9-4-6-7(13-14-9)3-5-1-2-8(6)15(5)10(16)17/h4-5,8H,1-3,11H2,(H,12,14)(H,16,17)
InChIKeyIFKLEXMVWJBULO-UHFFFAOYSA-N
XLogP0.50
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid?
The IUPAC name of 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid (CID 23453928) is 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid.
What is the SMILES notation for 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid?
The canonical SMILES for 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid is NNc1cc2c(nn1)CC1CCC2N1C(=O)O.
What is the InChIKey of 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid?
The InChIKey is IFKLEXMVWJBULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-12-9-4-6-7(13-14-9)3-5-1-2-8(6)15(5)10(16)17/h4-5,8H,1-3,11H2,(H,12,14)(H,16,17).
What are the key properties of 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid?
4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid has a molecular weight of 235.25 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid is sourced from PubChem (CID 23453928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).