ethane;6-imino-1-methanimidoylpyridin-3-amine

C8H14N4 — CID 166097056

IUPACethane;6-imino-1-methanimidoylpyridin-3-amine
SMILESCC.[H]/N=C/n1cc(N)cc/c1=N\[H]
InChIInChI=1S/C6H8N4.C2H6/c7-4-10-3-5(8)1-2-6(10)9;1-2/h1-4,7,9H,8H2;1-2H3/b7-4+,9-6+;
InChIKeyAPWKIPZBGZNXFM-UODLEXRRSA-N
MW166.23 g/mol
LogP1.03
Rot. Bonds1

About ethane;6-imino-1-methanimidoylpyridin-3-amine

ethane;6-imino-1-methanimidoylpyridin-3-amine (PubChem CID 166097056) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is ethane;6-imino-1-methanimidoylpyridin-3-amine.

Molecular Properties

Compound Nameethane;6-imino-1-methanimidoylpyridin-3-amine
PubChem CID166097056
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Nameethane;6-imino-1-methanimidoylpyridin-3-amine
SMILESCC.[H]/N=C/n1cc(N)cc/c1=N\[H]
InChIInChI=1S/C6H8N4.C2H6/c7-4-10-3-5(8)1-2-6(10)9;1-2/h1-4,7,9H,8H2;1-2H3/b7-4+,9-6+;
InChIKeyAPWKIPZBGZNXFM-UODLEXRRSA-N
XLogP1.03
TPSA78.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.03
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

1-methylpyridin-2(1H)-imine
CID 138111
Pyridine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 86173652
Iminoquinolizine
CID 129799109
1-Prop-2-enylpyridin-2-imine
CID 10866378
1-Ethylpyridin-2(1H)-imine
CID 12924176
1-Tert-butylpyridin-2-imine
CID 58097190
1-Propan-2-ylpyridin-2-imine
CID 68347865
1-Methanimidoylpyridin-2-imine
CID 69916775
1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 89843153
1-Ethanimidoylpyridin-2-imine
CID 123241756
1-But-1-en-2-ylpyridin-2-imine
CID 123544074
5-Chloro-1-prop-1-en-2-ylpyridin-2-imine
CID 123627508

Frequently Asked Questions

What is the IUPAC name of ethane;6-imino-1-methanimidoylpyridin-3-amine?
The IUPAC name of ethane;6-imino-1-methanimidoylpyridin-3-amine (CID 166097056) is ethane;6-imino-1-methanimidoylpyridin-3-amine.
What is the SMILES notation for ethane;6-imino-1-methanimidoylpyridin-3-amine?
The canonical SMILES for ethane;6-imino-1-methanimidoylpyridin-3-amine is CC.[H]/N=C/n1cc(N)cc/c1=N\[H].
What is the InChIKey of ethane;6-imino-1-methanimidoylpyridin-3-amine?
The InChIKey is APWKIPZBGZNXFM-UODLEXRRSA-N. The full InChI is InChI=1S/C6H8N4.C2H6/c7-4-10-3-5(8)1-2-6(10)9;1-2/h1-4,7,9H,8H2;1-2H3/b7-4+,9-6+;.
What are the key properties of ethane;6-imino-1-methanimidoylpyridin-3-amine?
ethane;6-imino-1-methanimidoylpyridin-3-amine has a molecular weight of 166.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-imino-1-methanimidoylpyridin-3-amine is sourced from PubChem (CID 166097056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).