3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole

C11H13N5O — CID 75614432

IUPAC3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESc1nc2c([nH]1)CNC(c1nc(C3CC3)no1)C2
InChIInChI=1S/C11H13N5O/c1-2-6(1)10-15-11(17-16-10)8-3-7-9(4-12-8)14-5-13-7/h5-6,8,12H,1-4H2,(H,13,14)
InChIKeyQSGNPCMPEWMRCV-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.06
Rot. Bonds2

About 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole

3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 75614432) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID75614432
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
SMILESc1nc2c([nH]1)CNC(c1nc(C3CC3)no1)C2
InChIInChI=1S/C11H13N5O/c1-2-6(1)10-15-11(17-16-10)8-3-7-9(4-12-8)14-5-13-7/h5-6,8,12H,1-4H2,(H,13,14)
InChIKeyQSGNPCMPEWMRCV-UHFFFAOYSA-N
XLogP1.06
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 51136224
3-ethyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343357
3-propyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343799
3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79344450
3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 116807674
3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 75111408
3-(ethylsulfanylmethyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79344641
3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 116704498
3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79704097
N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine
CID 163127552
N-hydroxy-3-[5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzeneamine oxide
CID 163127549
6-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 79354580

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole (CID 75614432) is 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is c1nc2c([nH]1)CNC(c1nc(C3CC3)no1)C2.
What is the InChIKey of 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is QSGNPCMPEWMRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-6(1)10-15-11(17-16-10)8-3-7-9(4-12-8)14-5-13-7/h5-6,8,12H,1-4H2,(H,13,14).
What are the key properties of 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75614432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).