7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C12H12N4O2 — CID 3419429

IUPAC7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3ncnn32)cc1
InChIInChI=1S/C12H12N4O2/c1-18-9-4-2-8(3-5-9)10-6-11(17)15-12-13-7-14-16(10)12/h2-5,7,10H,6H2,1H3,(H,13,14,15,17)
InChIKeyUAXNVTCSWUOJSH-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.22
Rot. Bonds2

About 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 3419429) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID3419429
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3ncnn32)cc1
InChIInChI=1S/C12H12N4O2/c1-18-9-4-2-8(3-5-9)10-6-11(17)15-12-13-7-14-16(10)12/h2-5,7,10H,6H2,1H3,(H,13,14,15,17)
InChIKeyUAXNVTCSWUOJSH-UHFFFAOYSA-N
XLogP1.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3734625
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CID 3745344
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CID 3829470
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CID 4087450
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CID 5158992
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CID 2792769
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CID 2792915
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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 3419429) is 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is COc1ccc(C2CC(=O)Nc3ncnn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is UAXNVTCSWUOJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-9-4-2-8(3-5-9)10-6-11(17)15-12-13-7-14-16(10)12/h2-5,7,10H,6H2,1H3,(H,13,14,15,17).
What are the key properties of 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 244.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 3419429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).