1,2-dihydropyridine-2-carboximidamide

C6H9N3 — CID 19041114

IUPAC1,2-dihydropyridine-2-carboximidamide
SMILES[H]/N=C(\N)C1C=CC=CN1
InChIInChI=1S/C6H9N3/c7-6(8)5-3-1-2-4-9-5/h1-5,9H,(H3,7,8)
InChIKeyHHLMTMZMNAYGKT-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.04
Rot. Bonds1

About 1,2-dihydropyridine-2-carboximidamide

1,2-dihydropyridine-2-carboximidamide (PubChem CID 19041114) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1,2-dihydropyridine-2-carboximidamide.

Molecular Properties

Compound Name1,2-dihydropyridine-2-carboximidamide
PubChem CID19041114
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1,2-dihydropyridine-2-carboximidamide
SMILES[H]/N=C(\N)C1C=CC=CN1
InChIInChI=1S/C6H9N3/c7-6(8)5-3-1-2-4-9-5/h1-5,9H,(H3,7,8)
InChIKeyHHLMTMZMNAYGKT-UHFFFAOYSA-N
XLogP-0.04
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
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 1,2-dihydropyridine-2-carboximidamide?
The IUPAC name of 1,2-dihydropyridine-2-carboximidamide (CID 19041114) is 1,2-dihydropyridine-2-carboximidamide.
What is the SMILES notation for 1,2-dihydropyridine-2-carboximidamide?
The canonical SMILES for 1,2-dihydropyridine-2-carboximidamide is [H]/N=C(\N)C1C=CC=CN1.
What is the InChIKey of 1,2-dihydropyridine-2-carboximidamide?
The InChIKey is HHLMTMZMNAYGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-6(8)5-3-1-2-4-9-5/h1-5,9H,(H3,7,8).
What are the key properties of 1,2-dihydropyridine-2-carboximidamide?
1,2-dihydropyridine-2-carboximidamide has a molecular weight of 123.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-2-carboximidamide is sourced from PubChem (CID 19041114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).