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

C17H16N6O2 — CID 171620740

IUPAC7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCOC1=NCN(c2cc3cnn(-c4ccccn4)c(=O)n3c2C)C=C1
InChIInChI=1S/C17H16N6O2/c1-12-14(21-8-6-16(25-2)19-11-21)9-13-10-20-23(17(24)22(12)13)15-5-3-4-7-18-15/h3-10H,11H2,1-2H3
InChIKeyRKQBTWWORAPWGE-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.52
Rot. Bonds2

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

7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (PubChem CID 171620740) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
PubChem CID171620740
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCOC1=NCN(c2cc3cnn(-c4ccccn4)c(=O)n3c2C)C=C1
InChIInChI=1S/C17H16N6O2/c1-12-14(21-8-6-16(25-2)19-11-21)9-13-10-20-23(17(24)22(12)13)15-5-3-4-7-18-15/h3-10H,11H2,1-2H3
InChIKeyRKQBTWWORAPWGE-UHFFFAOYSA-N
XLogP1.52
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The IUPAC name of 7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (CID 171620740) is 7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is COC1=NCN(c2cc3cnn(-c4ccccn4)c(=O)n3c2C)C=C1.
What is the InChIKey of 7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The InChIKey is RKQBTWWORAPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-12-14(21-8-6-16(25-2)19-11-21)9-13-10-20-23(17(24)22(12)13)15-5-3-4-7-18-15/h3-10H,11H2,1-2H3.
What are the key properties of 7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one has a molecular weight of 336.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-2H-pyrimidin-1-yl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is sourced from PubChem (CID 171620740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).