1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile

C10H10N6O — CID 126900714

IUPAC1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(Cc3ncno3)C2)c1
InChIInChI=1S/C10H10N6O/c11-1-8-2-13-16(3-8)9-4-15(5-9)6-10-12-7-14-17-10/h2-3,7,9H,4-6H2
InChIKeyRBWKORIPIXJJQM-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.19
Rot. Bonds3

About 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile

1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126900714) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126900714
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(Cc3ncno3)C2)c1
InChIInChI=1S/C10H10N6O/c11-1-8-2-13-16(3-8)9-4-15(5-9)6-10-12-7-14-17-10/h2-3,7,9H,4-6H2
InChIKeyRBWKORIPIXJJQM-UHFFFAOYSA-N
XLogP0.19
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947766
1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900704
1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900756
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947684
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900794
1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900685
1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine
CID 65250263
1-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947750
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900673
1-(thian-4-yl)pyrazole-4-carbonitrile
CID 84733123
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900669

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile (CID 126900714) is 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CN(Cc3ncno3)C2)c1.
What is the InChIKey of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is RBWKORIPIXJJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c11-1-8-2-13-16(3-8)9-4-15(5-9)6-10-12-7-14-17-10/h2-3,7,9H,4-6H2.
What are the key properties of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 230.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126900714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).