6-imino-1-methanimidoyl-N-methylpyridin-3-amine

C7H10N4 — CID 146317973

IUPAC6-imino-1-methanimidoyl-N-methylpyridin-3-amine
SMILES[H]/N=C/n1cc(NC)cc/c1=N\[H]
InChIInChI=1S/C7H10N4/c1-10-6-2-3-7(9)11(4-6)5-8/h2-5,8-10H,1H3/b8-5+,9-7+
InChIKeyFDLDKKRHDPOWCJ-OCIXRKKMSA-N
MW150.19 g/mol
LogP0.46
Rot. Bonds2

About 6-imino-1-methanimidoyl-N-methylpyridin-3-amine

6-imino-1-methanimidoyl-N-methylpyridin-3-amine (PubChem CID 146317973) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 6-imino-1-methanimidoyl-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-imino-1-methanimidoyl-N-methylpyridin-3-amine
PubChem CID146317973
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name6-imino-1-methanimidoyl-N-methylpyridin-3-amine
SMILES[H]/N=C/n1cc(NC)cc/c1=N\[H]
InChIInChI=1S/C7H10N4/c1-10-6-2-3-7(9)11(4-6)5-8/h2-5,8-10H,1H3/b8-5+,9-7+
InChIKeyFDLDKKRHDPOWCJ-OCIXRKKMSA-N
XLogP0.46
TPSA64.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-imino-1-methanimidoyl-N-methylpyridin-3-amine?
The IUPAC name of 6-imino-1-methanimidoyl-N-methylpyridin-3-amine (CID 146317973) is 6-imino-1-methanimidoyl-N-methylpyridin-3-amine.
What is the SMILES notation for 6-imino-1-methanimidoyl-N-methylpyridin-3-amine?
The canonical SMILES for 6-imino-1-methanimidoyl-N-methylpyridin-3-amine is [H]/N=C/n1cc(NC)cc/c1=N\[H].
What is the InChIKey of 6-imino-1-methanimidoyl-N-methylpyridin-3-amine?
The InChIKey is FDLDKKRHDPOWCJ-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H10N4/c1-10-6-2-3-7(9)11(4-6)5-8/h2-5,8-10H,1H3/b8-5+,9-7+.
What are the key properties of 6-imino-1-methanimidoyl-N-methylpyridin-3-amine?
6-imino-1-methanimidoyl-N-methylpyridin-3-amine has a molecular weight of 150.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1-methanimidoyl-N-methylpyridin-3-amine is sourced from PubChem (CID 146317973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).