5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide

C7H10N4 — CID 89231802

IUPAC5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC/C(=N\[H])C(N)=C1
InChIInChI=1S/C7H10N4/c8-5-2-1-4(7(10)11)3-6(5)9/h1,3,8H,2,9H2,(H3,10,11)/b8-5+
InChIKeyLEMFAGROFJTJRR-VMPITWQZSA-N
MW150.19 g/mol
LogP0.11
Rot. Bonds1

About 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide

5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide (PubChem CID 89231802) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound Name5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide
PubChem CID89231802
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC/C(=N\[H])C(N)=C1
InChIInChI=1S/C7H10N4/c8-5-2-1-4(7(10)11)3-6(5)9/h1,3,8H,2,9H2,(H3,10,11)/b8-5+
InChIKeyLEMFAGROFJTJRR-VMPITWQZSA-N
XLogP0.11
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide (CID 89231802) is 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide is [H]/N=C(\N)C1=CC/C(=N\[H])C(N)=C1.
What is the InChIKey of 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is LEMFAGROFJTJRR-VMPITWQZSA-N. The full InChI is InChI=1S/C7H10N4/c8-5-2-1-4(7(10)11)3-6(5)9/h1,3,8H,2,9H2,(H3,10,11)/b8-5+.
What are the key properties of 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide?
5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 150.19 g/mol, XLogP of 0.11, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-iminocyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 89231802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).