6-methanimidoyl-1,2-dihydropyridin-5-amine

C6H9N3 — CID 130336519

IUPAC6-methanimidoyl-1,2-dihydropyridin-5-amine
SMILES[H]/N=C/C1=C(N)C=CCN1
InChIInChI=1S/C6H9N3/c7-4-6-5(8)2-1-3-9-6/h1-2,4,7,9H,3,8H2/b7-4+
InChIKeyWJOAVXAADOWCNW-QPJJXVBHSA-N
MW123.16 g/mol
LogP-0.03
Rot. Bonds1

About 6-methanimidoyl-1,2-dihydropyridin-5-amine

6-methanimidoyl-1,2-dihydropyridin-5-amine (PubChem CID 130336519) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 6-methanimidoyl-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name6-methanimidoyl-1,2-dihydropyridin-5-amine
PubChem CID130336519
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name6-methanimidoyl-1,2-dihydropyridin-5-amine
SMILES[H]/N=C/C1=C(N)C=CCN1
InChIInChI=1S/C6H9N3/c7-4-6-5(8)2-1-3-9-6/h1-2,4,7,9H,3,8H2/b7-4+
InChIKeyWJOAVXAADOWCNW-QPJJXVBHSA-N
XLogP-0.03
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-methanimidoyl-1,2-dihydropyridin-5-amine?
The IUPAC name of 6-methanimidoyl-1,2-dihydropyridin-5-amine (CID 130336519) is 6-methanimidoyl-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 6-methanimidoyl-1,2-dihydropyridin-5-amine?
The canonical SMILES for 6-methanimidoyl-1,2-dihydropyridin-5-amine is [H]/N=C/C1=C(N)C=CCN1.
What is the InChIKey of 6-methanimidoyl-1,2-dihydropyridin-5-amine?
The InChIKey is WJOAVXAADOWCNW-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H9N3/c7-4-6-5(8)2-1-3-9-6/h1-2,4,7,9H,3,8H2/b7-4+.
What are the key properties of 6-methanimidoyl-1,2-dihydropyridin-5-amine?
6-methanimidoyl-1,2-dihydropyridin-5-amine has a molecular weight of 123.16 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 130336519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).