3,4-dihydropyridine-3-carboximidamide

C6H9N3 — CID 174741975

IUPAC3,4-dihydropyridine-3-carboximidamide
SMILES[H]/N=C(\N)C1C=NC=CC1
InChIInChI=1S/C6H9N3/c7-6(8)5-2-1-3-9-4-5/h1,3-5H,2H2,(H3,7,8)
InChIKeyALSABGVNWCAOHK-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.53
Rot. Bonds1

About 3,4-dihydropyridine-3-carboximidamide

3,4-dihydropyridine-3-carboximidamide (PubChem CID 174741975) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3,4-dihydropyridine-3-carboximidamide.

Molecular Properties

Compound Name3,4-dihydropyridine-3-carboximidamide
PubChem CID174741975
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3,4-dihydropyridine-3-carboximidamide
SMILES[H]/N=C(\N)C1C=NC=CC1
InChIInChI=1S/C6H9N3/c7-6(8)5-2-1-3-9-4-5/h1,3-5H,2H2,(H3,7,8)
InChIKeyALSABGVNWCAOHK-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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-3-carboximidamide?
The IUPAC name of 3,4-dihydropyridine-3-carboximidamide (CID 174741975) is 3,4-dihydropyridine-3-carboximidamide.
What is the SMILES notation for 3,4-dihydropyridine-3-carboximidamide?
The canonical SMILES for 3,4-dihydropyridine-3-carboximidamide is [H]/N=C(\N)C1C=NC=CC1.
What is the InChIKey of 3,4-dihydropyridine-3-carboximidamide?
The InChIKey is ALSABGVNWCAOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-6(8)5-2-1-3-9-4-5/h1,3-5H,2H2,(H3,7,8).
What are the key properties of 3,4-dihydropyridine-3-carboximidamide?
3,4-dihydropyridine-3-carboximidamide has a molecular weight of 123.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridine-3-carboximidamide is sourced from PubChem (CID 174741975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).