7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one

C17H14N6O2 — CID 171620669

IUPAC7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCOc1ccc(-c2cc3cnn(-c4ncccn4)c(=O)n3c2C)cn1
InChIInChI=1S/C17H14N6O2/c1-11-14(12-4-5-15(25-2)20-9-12)8-13-10-21-23(17(24)22(11)13)16-18-6-3-7-19-16/h3-10H,1-2H3
InChIKeyYISLADPEXYVEAA-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.65
Rot. Bonds3

About 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one

7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (PubChem CID 171620669) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
PubChem CID171620669
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCOc1ccc(-c2cc3cnn(-c4ncccn4)c(=O)n3c2C)cn1
InChIInChI=1S/C17H14N6O2/c1-11-14(12-4-5-15(25-2)20-9-12)8-13-10-21-23(17(24)22(11)13)16-18-6-3-7-19-16/h3-10H,1-2H3
InChIKeyYISLADPEXYVEAA-UHFFFAOYSA-N
XLogP1.65
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (CID 171620669) is 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is COc1ccc(-c2cc3cnn(-c4ncccn4)c(=O)n3c2C)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The InChIKey is YISLADPEXYVEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-11-14(12-4-5-15(25-2)20-9-12)8-13-10-21-23(17(24)22(11)13)16-18-6-3-7-19-16/h3-10H,1-2H3.
What are the key properties of 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one has a molecular weight of 334.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-6-methyl-3-pyrimidin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is sourced from PubChem (CID 171620669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).