6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H17N5O — CID 94672049

IUPAC6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc(N3CCCC3)[nH]n2c1=O
InChIInChI=1S/C12H17N5O/c1-3-9-8(2)13-11-14-12(15-17(11)10(9)18)16-6-4-5-7-16/h3-7H2,1-2H3,(H,13,14,15)
InChIKeyYXBPANGBKHUPDM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.89
Rot. Bonds2

About 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 94672049) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID94672049
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc(N3CCCC3)[nH]n2c1=O
InChIInChI=1S/C12H17N5O/c1-3-9-8(2)13-11-14-12(15-17(11)10(9)18)16-6-4-5-7-16/h3-7H2,1-2H3,(H,13,14,15)
InChIKeyYXBPANGBKHUPDM-UHFFFAOYSA-N
XLogP0.89
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 94672049) is 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2nc(N3CCCC3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YXBPANGBKHUPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-9-8(2)13-11-14-12(15-17(11)10(9)18)16-6-4-5-7-16/h3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 247.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 94672049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).