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

C8H12N4 — CID 176944300

IUPAC1-ethanimidoyl-6-imino-N-methylpyridin-3-amine
SMILES[H]/N=C(\C)n1cc(NC)cc/c1=N\[H]
InChIInChI=1S/C8H12N4/c1-6(9)12-5-7(11-2)3-4-8(12)10/h3-5,9-11H,1-2H3/b9-6+,10-8+
InChIKeyNEDHBJZHKKUTOO-OAMUUVBCSA-N
MW164.21 g/mol
LogP0.85
Rot. Bonds1

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

1-ethanimidoyl-6-imino-N-methylpyridin-3-amine (PubChem CID 176944300) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-ethanimidoyl-6-imino-N-methylpyridin-3-amine.

Molecular Properties

Compound Name1-ethanimidoyl-6-imino-N-methylpyridin-3-amine
PubChem CID176944300
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-ethanimidoyl-6-imino-N-methylpyridin-3-amine
SMILES[H]/N=C(\C)n1cc(NC)cc/c1=N\[H]
InChIInChI=1S/C8H12N4/c1-6(9)12-5-7(11-2)3-4-8(12)10/h3-5,9-11H,1-2H3/b9-6+,10-8+
InChIKeyNEDHBJZHKKUTOO-OAMUUVBCSA-N
XLogP0.85
TPSA64.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.85
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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Related Compounds

Pyridine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 86173652
N-[2-(2-imino-1-pyridyl)ethyl]propan-2-amine
CID 469972
Iminoquinolizine
CID 129799109
1-Prop-2-enylpyridin-2-imine
CID 10866378
(Z)-3-[[(2E)-4-fluoropenta-2,4-dien-2-yl]amino]prop-2-enimidamide
CID 137282323
1-Ethylpyridin-2(1H)-imine
CID 12924176
1-Tert-butylpyridin-2-imine
CID 58097190
1-Propan-2-ylpyridin-2-imine
CID 68347865
(Z)-(1-prop-1-en-2-yl-2-pyridinylidene)hydrazine
CID 88940997
1-Ethanimidoylpyridin-2-imine
CID 123241756
5-Piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123260475
1-But-1-en-2-ylpyridin-2-imine
CID 123544074

Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-6-imino-N-methylpyridin-3-amine?
The IUPAC name of 1-ethanimidoyl-6-imino-N-methylpyridin-3-amine (CID 176944300) is 1-ethanimidoyl-6-imino-N-methylpyridin-3-amine.
What is the SMILES notation for 1-ethanimidoyl-6-imino-N-methylpyridin-3-amine?
The canonical SMILES for 1-ethanimidoyl-6-imino-N-methylpyridin-3-amine is [H]/N=C(\C)n1cc(NC)cc/c1=N\[H].
What is the InChIKey of 1-ethanimidoyl-6-imino-N-methylpyridin-3-amine?
The InChIKey is NEDHBJZHKKUTOO-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H12N4/c1-6(9)12-5-7(11-2)3-4-8(12)10/h3-5,9-11H,1-2H3/b9-6+,10-8+.
What are the key properties of 1-ethanimidoyl-6-imino-N-methylpyridin-3-amine?
1-ethanimidoyl-6-imino-N-methylpyridin-3-amine has a molecular weight of 164.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-6-imino-N-methylpyridin-3-amine is sourced from PubChem (CID 176944300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).