5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile

C12H12N4 — CID 172860301

IUPAC5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2C=CN(C3CC3)C2)cn1
InChIInChI=1S/C12H12N4/c13-7-10-1-2-12(8-14-10)16-6-5-15(9-16)11-3-4-11/h1-2,5-6,8,11H,3-4,9H2
InChIKeyZGJUZJZCZJYRBG-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.67
Rot. Bonds2

About 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile

5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile (PubChem CID 172860301) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile
PubChem CID172860301
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2C=CN(C3CC3)C2)cn1
InChIInChI=1S/C12H12N4/c13-7-10-1-2-12(8-14-10)16-6-5-15(9-16)11-3-4-11/h1-2,5-6,8,11H,3-4,9H2
InChIKeyZGJUZJZCZJYRBG-UHFFFAOYSA-N
XLogP1.67
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile (CID 172860301) is 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile is N#Cc1ccc(N2C=CN(C3CC3)C2)cn1.
What is the InChIKey of 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is ZGJUZJZCZJYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-7-10-1-2-12(8-14-10)16-6-5-15(9-16)11-3-4-11/h1-2,5-6,8,11H,3-4,9H2.
What are the key properties of 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile?
5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-2H-imidazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 172860301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).