3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one

C9H9N3O2 — CID 135421750

IUPAC3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOc1cccc(-c2n[nH]c(=O)[nH]2)c1
InChIInChI=1S/C9H9N3O2/c1-14-7-4-2-3-6(5-7)8-10-9(13)12-11-8/h2-5H,1H3,(H2,10,11,12,13)
InChIKeyMJGHUHSYUNRAED-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.77
Rot. Bonds2

About 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135421750) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135421750
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOc1cccc(-c2n[nH]c(=O)[nH]2)c1
InChIInChI=1S/C9H9N3O2/c1-14-7-4-2-3-6(5-7)8-10-9(13)12-11-8/h2-5H,1H3,(H2,10,11,12,13)
InChIKeyMJGHUHSYUNRAED-UHFFFAOYSA-N
XLogP0.77
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025507
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82104586
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756453
5-(bromomethyl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445918
5-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 43826589
3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117142208
2-(3-methoxyphenyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117133032

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 135421750) is 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one is COc1cccc(-c2n[nH]c(=O)[nH]2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is MJGHUHSYUNRAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-7-4-2-3-6(5-7)8-10-9(13)12-11-8/h2-5H,1H3,(H2,10,11,12,13).
What are the key properties of 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 191.19 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135421750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).