4-methanimidoylcyclopenta-1,2,4-trien-1-amine

C6H6N2 — CID 118682359

IUPAC4-methanimidoylcyclopenta-1,2,4-trien-1-amine
SMILES[H]/N=C/C1=CC(N)=C=C1
InChIInChI=1S/C6H6N2/c7-4-5-1-2-6(8)3-5/h1,3-4,7H,8H2/b7-4+
InChIKeyVNLMUAKPANKULQ-QPJJXVBHSA-N
MW106.13 g/mol
LogP0.57
Rot. Bonds1

About 4-methanimidoylcyclopenta-1,2,4-trien-1-amine

4-methanimidoylcyclopenta-1,2,4-trien-1-amine (PubChem CID 118682359) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 4-methanimidoylcyclopenta-1,2,4-trien-1-amine.

Molecular Properties

Compound Name4-methanimidoylcyclopenta-1,2,4-trien-1-amine
PubChem CID118682359
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name4-methanimidoylcyclopenta-1,2,4-trien-1-amine
SMILES[H]/N=C/C1=CC(N)=C=C1
InChIInChI=1S/C6H6N2/c7-4-5-1-2-6(8)3-5/h1,3-4,7H,8H2/b7-4+
InChIKeyVNLMUAKPANKULQ-QPJJXVBHSA-N
XLogP0.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-methanimidoylcyclopenta-1,2,4-trien-1-amine?
The IUPAC name of 4-methanimidoylcyclopenta-1,2,4-trien-1-amine (CID 118682359) is 4-methanimidoylcyclopenta-1,2,4-trien-1-amine.
What is the SMILES notation for 4-methanimidoylcyclopenta-1,2,4-trien-1-amine?
The canonical SMILES for 4-methanimidoylcyclopenta-1,2,4-trien-1-amine is [H]/N=C/C1=CC(N)=C=C1.
What is the InChIKey of 4-methanimidoylcyclopenta-1,2,4-trien-1-amine?
The InChIKey is VNLMUAKPANKULQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H6N2/c7-4-5-1-2-6(8)3-5/h1,3-4,7H,8H2/b7-4+.
What are the key properties of 4-methanimidoylcyclopenta-1,2,4-trien-1-amine?
4-methanimidoylcyclopenta-1,2,4-trien-1-amine has a molecular weight of 106.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylcyclopenta-1,2,4-trien-1-amine is sourced from PubChem (CID 118682359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).