9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one

C15H15N7O — CID 3077726

IUPAC9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one
SMILESCCCn1c(=O)n2c(-c3cccnc3)nnc2c2c1ncn2C
InChIInChI=1S/C15H15N7O/c1-3-7-21-13-11(20(2)9-17-13)14-19-18-12(22(14)15(21)23)10-5-4-6-16-8-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyLKKMIGRJMKLUMO-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.25
Rot. Bonds3

About 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one

9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one (PubChem CID 3077726) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one.

Molecular Properties

Compound Name9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one
PubChem CID3077726
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one
SMILESCCCn1c(=O)n2c(-c3cccnc3)nnc2c2c1ncn2C
InChIInChI=1S/C15H15N7O/c1-3-7-21-13-11(20(2)9-17-13)14-19-18-12(22(14)15(21)23)10-5-4-6-16-8-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyLKKMIGRJMKLUMO-UHFFFAOYSA-N
XLogP1.25
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one?
The IUPAC name of 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one (CID 3077726) is 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one.
What is the SMILES notation for 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one?
The canonical SMILES for 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one is CCCn1c(=O)n2c(-c3cccnc3)nnc2c2c1ncn2C.
What is the InChIKey of 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one?
The InChIKey is LKKMIGRJMKLUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-3-7-21-13-11(20(2)9-17-13)14-19-18-12(22(14)15(21)23)10-5-4-6-16-8-10/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one?
9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one has a molecular weight of 309.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-propyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-f]purin-5-one is sourced from PubChem (CID 3077726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).