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

C8H8N4O2 — CID 137270975

IUPAC3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOc1ncccc1-c1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H8N4O2/c1-14-7-5(3-2-4-9-7)6-10-8(13)12-11-6/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyXLLSKAIJTZHEET-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.17
Rot. Bonds2

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

3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137270975) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137270975
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOc1ncccc1-c1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H8N4O2/c1-14-7-5(3-2-4-9-7)6-10-8(13)12-11-6/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyXLLSKAIJTZHEET-UHFFFAOYSA-N
XLogP0.17
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 137270975) is 3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one is COc1ncccc1-c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is XLLSKAIJTZHEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-7-5(3-2-4-9-7)6-10-8(13)12-11-6/h2-4H,1H3,(H2,10,11,12,13).
What are the key properties of 3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 192.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137270975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).