5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H20N4O4 — CID 1266452

IUPAC5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3cc(OC)c(OC)c(OC)c3)nc2n1
InChIInChI=1S/C17H20N4O4/c1-5-6-11-9-14(22)21-17(18-11)19-16(20-21)10-7-12(23-2)15(25-4)13(8-10)24-3/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyRMLQYMDBIAHOEY-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.06
Rot. Bonds6

About 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1266452) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1266452
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3cc(OC)c(OC)c(OC)c3)nc2n1
InChIInChI=1S/C17H20N4O4/c1-5-6-11-9-14(22)21-17(18-11)19-16(20-21)10-7-12(23-2)15(25-4)13(8-10)24-3/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyRMLQYMDBIAHOEY-UHFFFAOYSA-N
XLogP2.06
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-(4-Methoxyphenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1851458
2-(3,4,5-Trimethoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline-5-thiol
CID 5305935
3-phenyl-5-[(3,4,5-trimethoxyphenyl)methylene]-2,5-dihydro-1,2,4-triazin-6(1H)-one
CID 5715095
2-[(3,4-dimethoxybenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1263334
5,6-Dimethyl-2-(3,4,5-trimethoxy-phenyl)-pyrazolo[1,5-a]pyrimidin-7-ol
CID 653664
2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 707923
5-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 16414956
US11191765, Example 35
CID 17168527
US11191765, Example 33
CID 17168536
5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 74221888
5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 12726115
5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 12726116

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1266452) is 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(-c3cc(OC)c(OC)c(OC)c3)nc2n1.
What is the InChIKey of 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RMLQYMDBIAHOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-5-6-11-9-14(22)21-17(18-11)19-16(20-21)10-7-12(23-2)15(25-4)13(8-10)24-3/h7-9H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 344.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1266452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).