3,4-dihydropyridine-2-carboximidamide

C6H9N3 — CID 153109642

IUPAC3,4-dihydropyridine-2-carboximidamide
SMILES[H]/N=C(\N)C1=NC=CCC1
InChIInChI=1S/C6H9N3/c7-6(8)5-3-1-2-4-9-5/h2,4H,1,3H2,(H3,7,8)
InChIKeyVSRDVLWZJMVWJR-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.67
Rot. Bonds1

About 3,4-dihydropyridine-2-carboximidamide

3,4-dihydropyridine-2-carboximidamide (PubChem CID 153109642) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3,4-dihydropyridine-2-carboximidamide.

Molecular Properties

Compound Name3,4-dihydropyridine-2-carboximidamide
PubChem CID153109642
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3,4-dihydropyridine-2-carboximidamide
SMILES[H]/N=C(\N)C1=NC=CCC1
InChIInChI=1S/C6H9N3/c7-6(8)5-3-1-2-4-9-5/h2,4H,1,3H2,(H3,7,8)
InChIKeyVSRDVLWZJMVWJR-UHFFFAOYSA-N
XLogP0.67
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridine-2-carboximidamide?
The IUPAC name of 3,4-dihydropyridine-2-carboximidamide (CID 153109642) is 3,4-dihydropyridine-2-carboximidamide.
What is the SMILES notation for 3,4-dihydropyridine-2-carboximidamide?
The canonical SMILES for 3,4-dihydropyridine-2-carboximidamide is [H]/N=C(\N)C1=NC=CCC1.
What is the InChIKey of 3,4-dihydropyridine-2-carboximidamide?
The InChIKey is VSRDVLWZJMVWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-6(8)5-3-1-2-4-9-5/h2,4H,1,3H2,(H3,7,8).
What are the key properties of 3,4-dihydropyridine-2-carboximidamide?
3,4-dihydropyridine-2-carboximidamide has a molecular weight of 123.16 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridine-2-carboximidamide is sourced from PubChem (CID 153109642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).