7-amino-N'-diazenylquinoline-4-carboximidamide

C10H10N6 — CID 137149705

IUPAC7-amino-N'-diazenylquinoline-4-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccnc2cc(N)ccc12
InChIInChI=1S/C10H10N6/c11-6-1-2-7-8(10(12)15-16-13)3-4-14-9(7)5-6/h1-5H,11H2,(H3,12,13,15)
InChIKeyBCWXCTKREYWLRH-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.47
Rot. Bonds2

About 7-amino-N'-diazenylquinoline-4-carboximidamide

7-amino-N'-diazenylquinoline-4-carboximidamide (PubChem CID 137149705) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 7-amino-N'-diazenylquinoline-4-carboximidamide.

Molecular Properties

Compound Name7-amino-N'-diazenylquinoline-4-carboximidamide
PubChem CID137149705
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name7-amino-N'-diazenylquinoline-4-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccnc2cc(N)ccc12
InChIInChI=1S/C10H10N6/c11-6-1-2-7-8(10(12)15-16-13)3-4-14-9(7)5-6/h1-5H,11H2,(H3,12,13,15)
InChIKeyBCWXCTKREYWLRH-UHFFFAOYSA-N
XLogP1.47
TPSA113.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 7-amino-N'-diazenylquinoline-4-carboximidamide?
The IUPAC name of 7-amino-N'-diazenylquinoline-4-carboximidamide (CID 137149705) is 7-amino-N'-diazenylquinoline-4-carboximidamide.
What is the SMILES notation for 7-amino-N'-diazenylquinoline-4-carboximidamide?
The canonical SMILES for 7-amino-N'-diazenylquinoline-4-carboximidamide is [H]/N=N/N=C(N)c1ccnc2cc(N)ccc12.
What is the InChIKey of 7-amino-N'-diazenylquinoline-4-carboximidamide?
The InChIKey is BCWXCTKREYWLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c11-6-1-2-7-8(10(12)15-16-13)3-4-14-9(7)5-6/h1-5H,11H2,(H3,12,13,15).
What are the key properties of 7-amino-N'-diazenylquinoline-4-carboximidamide?
7-amino-N'-diazenylquinoline-4-carboximidamide has a molecular weight of 214.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N'-diazenylquinoline-4-carboximidamide is sourced from PubChem (CID 137149705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).