1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one

C11H13N5O — CID 126900203

IUPAC1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one
SMILESCn1ccnc(N2CC(n3cccn3)C2)c1=O
InChIInChI=1S/C11H13N5O/c1-14-6-4-12-10(11(14)17)15-7-9(8-15)16-5-2-3-13-16/h2-6,9H,7-8H2,1H3
InChIKeyYNHRTNZRZSZDIE-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.04
Rot. Bonds2

About 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one

1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one (PubChem CID 126900203) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one
PubChem CID126900203
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one
SMILESCn1ccnc(N2CC(n3cccn3)C2)c1=O
InChIInChI=1S/C11H13N5O/c1-14-6-4-12-10(11(14)17)15-7-9(8-15)16-5-2-3-13-16/h2-6,9H,7-8H2,1H3
InChIKeyYNHRTNZRZSZDIE-UHFFFAOYSA-N
XLogP0.04
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-methyl-3-(methyl((1-methyl-1H-pyrazol-5-yl)methyl)amino)pyrazin-2(1H)-one
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CID 22969696
5-Chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one
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CID 57787080

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one (CID 126900203) is 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one is Cn1ccnc(N2CC(n3cccn3)C2)c1=O.
What is the InChIKey of 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one?
The InChIKey is YNHRTNZRZSZDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-14-6-4-12-10(11(14)17)15-7-9(8-15)16-5-2-3-13-16/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one?
1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one has a molecular weight of 231.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one is sourced from PubChem (CID 126900203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).