1-methanimidoyl-2H-pyridin-2-amine

C6H9N3 — CID 170061290

IUPAC1-methanimidoyl-2H-pyridin-2-amine
SMILES[H]/N=C/N1C=CC=CC1N
InChIInChI=1S/C6H9N3/c7-5-9-4-2-1-3-6(9)8/h1-7H,8H2/b7-5+
InChIKeyGNYBXTRHJDLXEV-FNORWQNLSA-N
MW123.16 g/mol
LogP0.26
Rot. Bonds1

About 1-methanimidoyl-2H-pyridin-2-amine

1-methanimidoyl-2H-pyridin-2-amine (PubChem CID 170061290) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-methanimidoyl-2H-pyridin-2-amine.

Molecular Properties

Compound Name1-methanimidoyl-2H-pyridin-2-amine
PubChem CID170061290
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-methanimidoyl-2H-pyridin-2-amine
SMILES[H]/N=C/N1C=CC=CC1N
InChIInChI=1S/C6H9N3/c7-5-9-4-2-1-3-6(9)8/h1-7H,8H2/b7-5+
InChIKeyGNYBXTRHJDLXEV-FNORWQNLSA-N
XLogP0.26
TPSA53.11 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 ≤ 50.26
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 1-methanimidoyl-2H-pyridin-2-amine?
The IUPAC name of 1-methanimidoyl-2H-pyridin-2-amine (CID 170061290) is 1-methanimidoyl-2H-pyridin-2-amine.
What is the SMILES notation for 1-methanimidoyl-2H-pyridin-2-amine?
The canonical SMILES for 1-methanimidoyl-2H-pyridin-2-amine is [H]/N=C/N1C=CC=CC1N.
What is the InChIKey of 1-methanimidoyl-2H-pyridin-2-amine?
The InChIKey is GNYBXTRHJDLXEV-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9N3/c7-5-9-4-2-1-3-6(9)8/h1-7H,8H2/b7-5+.
What are the key properties of 1-methanimidoyl-2H-pyridin-2-amine?
1-methanimidoyl-2H-pyridin-2-amine has a molecular weight of 123.16 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-2H-pyridin-2-amine is sourced from PubChem (CID 170061290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).