N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide

C9H9N5 — CID 169237768

IUPACN'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide
SMILESN/C=N/c1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H9N5/c10-6-13-9-2-1-8(5-12-9)14-4-3-11-7-14/h1-7H,(H2,10,12,13)
InChIKeyCIWIRTBYJIADCL-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.89
Rot. Bonds2

About N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide

N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide (PubChem CID 169237768) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide.

Molecular Properties

Compound NameN'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide
PubChem CID169237768
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC NameN'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide
SMILESN/C=N/c1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H9N5/c10-6-13-9-2-1-8(5-12-9)14-4-3-11-7-14/h1-7H,(H2,10,12,13)
InChIKeyCIWIRTBYJIADCL-UHFFFAOYSA-N
XLogP0.89
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide?
The IUPAC name of N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide (CID 169237768) is N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide.
What is the SMILES notation for N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide?
The canonical SMILES for N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide is N/C=N/c1ccc(-n2ccnc2)cn1.
What is the InChIKey of N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide?
The InChIKey is CIWIRTBYJIADCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c10-6-13-9-2-1-8(5-12-9)14-4-3-11-7-14/h1-7H,(H2,10,12,13).
What are the key properties of N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide?
N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide has a molecular weight of 187.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide is sourced from PubChem (CID 169237768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).