6-(4H-imidazol-4-yl)-1,2-dihydropyridine

C8H9N3 — CID 121322291

IUPAC6-(4H-imidazol-4-yl)-1,2-dihydropyridine
SMILESC1=CCNC(C2C=NC=N2)=C1
InChIInChI=1S/C8H9N3/c1-2-4-10-7(3-1)8-5-9-6-11-8/h1-3,5-6,8,10H,4H2
InChIKeyINTVFFRDRPYPBE-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.51
Rot. Bonds1

About 6-(4H-imidazol-4-yl)-1,2-dihydropyridine

6-(4H-imidazol-4-yl)-1,2-dihydropyridine (PubChem CID 121322291) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-(4H-imidazol-4-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(4H-imidazol-4-yl)-1,2-dihydropyridine
PubChem CID121322291
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name6-(4H-imidazol-4-yl)-1,2-dihydropyridine
SMILESC1=CCNC(C2C=NC=N2)=C1
InChIInChI=1S/C8H9N3/c1-2-4-10-7(3-1)8-5-9-6-11-8/h1-3,5-6,8,10H,4H2
InChIKeyINTVFFRDRPYPBE-UHFFFAOYSA-N
XLogP0.51
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4H-imidazol-4-yl)-1,2-dihydropyridine?
The IUPAC name of 6-(4H-imidazol-4-yl)-1,2-dihydropyridine (CID 121322291) is 6-(4H-imidazol-4-yl)-1,2-dihydropyridine.
What is the SMILES notation for 6-(4H-imidazol-4-yl)-1,2-dihydropyridine?
The canonical SMILES for 6-(4H-imidazol-4-yl)-1,2-dihydropyridine is C1=CCNC(C2C=NC=N2)=C1.
What is the InChIKey of 6-(4H-imidazol-4-yl)-1,2-dihydropyridine?
The InChIKey is INTVFFRDRPYPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-4-10-7(3-1)8-5-9-6-11-8/h1-3,5-6,8,10H,4H2.
What are the key properties of 6-(4H-imidazol-4-yl)-1,2-dihydropyridine?
6-(4H-imidazol-4-yl)-1,2-dihydropyridine has a molecular weight of 147.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4H-imidazol-4-yl)-1,2-dihydropyridine is sourced from PubChem (CID 121322291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).