5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H15N5O — CID 14029240

IUPAC5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc[nH]n2c(=O)c1CN1CCCC1
InChIInChI=1S/C11H15N5O/c1-8-9(6-15-4-2-3-5-15)10(17)16-11(14-8)12-7-13-16/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyBNEBTNUJXPLPFB-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.32
Rot. Bonds2

About 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 14029240) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID14029240
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc[nH]n2c(=O)c1CN1CCCC1
InChIInChI=1S/C11H15N5O/c1-8-9(6-15-4-2-3-5-15)10(17)16-11(14-8)12-7-13-16/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyBNEBTNUJXPLPFB-UHFFFAOYSA-N
XLogP0.32
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 14029240) is 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc[nH]n2c(=O)c1CN1CCCC1.
What is the InChIKey of 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BNEBTNUJXPLPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-9(6-15-4-2-3-5-15)10(17)16-11(14-8)12-7-13-16/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 233.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(pyrrolidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 14029240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).