5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile

C11H12N4 — CID 10081505

IUPAC5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(N2C[C@H]3CN[C@H]3C2)c1
InChIInChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-6-9-4-14-11(9)7-15/h1,3,5,9,11,14H,4,6-7H2/t9-,11+/m1/s1
InChIKeyKGHKOOLJKCBUSS-KOLCDFICSA-N
MW200.25 g/mol
LogP0.36
Rot. Bonds1

About 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile

5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile (PubChem CID 10081505) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile
PubChem CID10081505
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(N2C[C@H]3CN[C@H]3C2)c1
InChIInChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-6-9-4-14-11(9)7-15/h1,3,5,9,11,14H,4,6-7H2/t9-,11+/m1/s1
InChIKeyKGHKOOLJKCBUSS-KOLCDFICSA-N
XLogP0.36
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile (CID 10081505) is 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile is N#Cc1cncc(N2C[C@H]3CN[C@H]3C2)c1.
What is the InChIKey of 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile?
The InChIKey is KGHKOOLJKCBUSS-KOLCDFICSA-N. The full InChI is InChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-6-9-4-14-11(9)7-15/h1,3,5,9,11,14H,4,6-7H2/t9-,11+/m1/s1.
What are the key properties of 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile?
5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile has a molecular weight of 200.25 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 10081505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).