4-iminopyridine-1-carboximidamide

C6H8N4 — CID 154146981

IUPAC4-iminopyridine-1-carboximidamide
SMILES[H]N=c1ccn(/C(N)=N/[H])cc1
InChIInChI=1S/C6H8N4/c7-5-1-3-10(4-2-5)6(8)9/h1-4,7H,(H3,8,9)
InChIKeyHURBAISNHMGPFV-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.29
Rot. Bonds

About 4-iminopyridine-1-carboximidamide

4-iminopyridine-1-carboximidamide (PubChem CID 154146981) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 4-iminopyridine-1-carboximidamide.

Molecular Properties

Compound Name4-iminopyridine-1-carboximidamide
PubChem CID154146981
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name4-iminopyridine-1-carboximidamide
SMILES[H]N=c1ccn(/C(N)=N/[H])cc1
InChIInChI=1S/C6H8N4/c7-5-1-3-10(4-2-5)6(8)9/h1-4,7H,(H3,8,9)
InChIKeyHURBAISNHMGPFV-UHFFFAOYSA-N
XLogP-0.29
TPSA78.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
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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Related Compounds

4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide
CID 54507850
5-aminopyrazole-1-carboximidamide;hydrochloride
CID 19382651
triazole-2-carboximidamide
CID 130367055
7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid
CID 67944496
3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride
CID 19382678
1-methyl-1,3-dihydroisoindole-2-carboximidamide
CID 175465604
3-methyl-4-phenylpyrazole-1-carboximidamide
CID 141222315
triazole-2-carboximidamide;hydrochloride
CID 130367054
4-methyl-2,3-dihydroquinoxaline-1-carboximidamide
CID 63776820
triazole-1-carboximidamide;hydrochloride
CID 18519220
5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 15720676
4-bromo-5-fluoro-1,3-dihydroisoindole-2-carboximidamide
CID 121451396

Frequently Asked Questions

What is the IUPAC name of 4-iminopyridine-1-carboximidamide?
The IUPAC name of 4-iminopyridine-1-carboximidamide (CID 154146981) is 4-iminopyridine-1-carboximidamide.
What is the SMILES notation for 4-iminopyridine-1-carboximidamide?
The canonical SMILES for 4-iminopyridine-1-carboximidamide is [H]N=c1ccn(/C(N)=N/[H])cc1.
What is the InChIKey of 4-iminopyridine-1-carboximidamide?
The InChIKey is HURBAISNHMGPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-5-1-3-10(4-2-5)6(8)9/h1-4,7H,(H3,8,9).
What are the key properties of 4-iminopyridine-1-carboximidamide?
4-iminopyridine-1-carboximidamide has a molecular weight of 136.16 g/mol, XLogP of -0.29, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminopyridine-1-carboximidamide is sourced from PubChem (CID 154146981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).