7-ethanimidoylcinnolin-3-amine

C10H10N4 — CID 137388558

IUPAC7-ethanimidoylcinnolin-3-amine
SMILES[H]/N=C(\C)c1ccc2cc(N)nnc2c1
InChIInChI=1S/C10H10N4/c1-6(11)7-2-3-8-5-10(12)14-13-9(8)4-7/h2-5,11H,1H3,(H2,12,14)/b11-6+
InChIKeyNSCJHKPYOVDEJB-IZZDOVSWSA-N
MW186.22 g/mol
LogP1.60
Rot. Bonds1

About 7-ethanimidoylcinnolin-3-amine

7-ethanimidoylcinnolin-3-amine (PubChem CID 137388558) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 7-ethanimidoylcinnolin-3-amine.

Molecular Properties

Compound Name7-ethanimidoylcinnolin-3-amine
PubChem CID137388558
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name7-ethanimidoylcinnolin-3-amine
SMILES[H]/N=C(\C)c1ccc2cc(N)nnc2c1
InChIInChI=1S/C10H10N4/c1-6(11)7-2-3-8-5-10(12)14-13-9(8)4-7/h2-5,11H,1H3,(H2,12,14)/b11-6+
InChIKeyNSCJHKPYOVDEJB-IZZDOVSWSA-N
XLogP1.60
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 7-ethanimidoylcinnolin-3-amine?
The IUPAC name of 7-ethanimidoylcinnolin-3-amine (CID 137388558) is 7-ethanimidoylcinnolin-3-amine.
What is the SMILES notation for 7-ethanimidoylcinnolin-3-amine?
The canonical SMILES for 7-ethanimidoylcinnolin-3-amine is [H]/N=C(\C)c1ccc2cc(N)nnc2c1.
What is the InChIKey of 7-ethanimidoylcinnolin-3-amine?
The InChIKey is NSCJHKPYOVDEJB-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N4/c1-6(11)7-2-3-8-5-10(12)14-13-9(8)4-7/h2-5,11H,1H3,(H2,12,14)/b11-6+.
What are the key properties of 7-ethanimidoylcinnolin-3-amine?
7-ethanimidoylcinnolin-3-amine has a molecular weight of 186.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethanimidoylcinnolin-3-amine is sourced from PubChem (CID 137388558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).