3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C14H15N5OS — CID 139014058

IUPAC3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3nc(C4CC4)nn3C)cnc12
InChIInChI=1S/C14H15N5OS/c1-8-6-21-12-11(8)15-7-19(14(12)20)5-10-16-13(9-3-4-9)17-18(10)2/h6-7,9H,3-5H2,1-2H3
InChIKeyAIUWXTMOXVFYCA-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.82
Rot. Bonds3

About 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 139014058) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID139014058
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3nc(C4CC4)nn3C)cnc12
InChIInChI=1S/C14H15N5OS/c1-8-6-21-12-11(8)15-7-19(14(12)20)5-10-16-13(9-3-4-9)17-18(10)2/h6-7,9H,3-5H2,1-2H3
InChIKeyAIUWXTMOXVFYCA-UHFFFAOYSA-N
XLogP1.82
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 135891005
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685671
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098
7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 102685572
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39834339
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 139014058) is 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(Cc3nc(C4CC4)nn3C)cnc12.
What is the InChIKey of 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is AIUWXTMOXVFYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-6-21-12-11(8)15-7-19(14(12)20)5-10-16-13(9-3-4-9)17-18(10)2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 301.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 139014058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).