2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H11N5O2 — CID 66273470

IUPAC2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCn1cccc1C(=O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C12H11N5O2/c1-15-5-2-3-9(15)10(18)8-17-12(19)16-6-4-13-7-11(16)14-17/h2-7H,8H2,1H3
InChIKeyOCKLRXNBSRULTQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.11
Rot. Bonds3

About 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273470) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273470
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCn1cccc1C(=O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C12H11N5O2/c1-15-5-2-3-9(15)10(18)8-17-12(19)16-6-4-13-7-11(16)14-17/h2-7H,8H2,1H3
InChIKeyOCKLRXNBSRULTQ-UHFFFAOYSA-N
XLogP0.11
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273470) is 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cn1cccc1C(=O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is OCKLRXNBSRULTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-15-5-2-3-9(15)10(18)8-17-12(19)16-6-4-13-7-11(16)14-17/h2-7H,8H2,1H3.
What are the key properties of 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 257.25 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).