1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile

C12H12N6 — CID 126900704

IUPAC1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(Cc3ncccn3)C2)c1
InChIInChI=1S/C12H12N6/c13-4-10-5-16-18(6-10)11-7-17(8-11)9-12-14-2-1-3-15-12/h1-3,5-6,11H,7-9H2
InChIKeyFLPRGVTYAPARCE-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.60
Rot. Bonds3

About 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile

1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126900704) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126900704
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(Cc3ncccn3)C2)c1
InChIInChI=1S/C12H12N6/c13-4-10-5-16-18(6-10)11-7-17(8-11)9-12-14-2-1-3-15-12/h1-3,5-6,11H,7-9H2
InChIKeyFLPRGVTYAPARCE-UHFFFAOYSA-N
XLogP0.60
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900714
1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900756
1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900685
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900794
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-cyclobutylpyrazole-4-carbonitrile
CID 105429045
1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile
CID 126900803
1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947766
1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947753
1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900886
1-(thian-4-yl)pyrazole-4-carbonitrile
CID 84733123

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile (CID 126900704) is 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CN(Cc3ncccn3)C2)c1.
What is the InChIKey of 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is FLPRGVTYAPARCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-4-10-5-16-18(6-10)11-7-17(8-11)9-12-14-2-1-3-15-12/h1-3,5-6,11H,7-9H2.
What are the key properties of 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126900704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).