7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one

C21H18N4O2 — CID 171620605

IUPAC7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCc1c(-c2cccc(OC3CC3)c2)cc2cnn(-c3ccccn3)c(=O)n12
InChIInChI=1S/C21H18N4O2/c1-14-19(15-5-4-6-18(11-15)27-17-8-9-17)12-16-13-23-25(21(26)24(14)16)20-7-2-3-10-22-20/h2-7,10-13,17H,8-9H2,1H3
InChIKeyQSIJBDARKLARBE-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.40
Rot. Bonds4

About 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one

7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (PubChem CID 171620605) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
PubChem CID171620605
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCc1c(-c2cccc(OC3CC3)c2)cc2cnn(-c3ccccn3)c(=O)n12
InChIInChI=1S/C21H18N4O2/c1-14-19(15-5-4-6-18(11-15)27-17-8-9-17)12-16-13-23-25(21(26)24(14)16)20-7-2-3-10-22-20/h2-7,10-13,17H,8-9H2,1H3
InChIKeyQSIJBDARKLARBE-UHFFFAOYSA-N
XLogP3.40
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The IUPAC name of 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one (CID 171620605) is 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is Cc1c(-c2cccc(OC3CC3)c2)cc2cnn(-c3ccccn3)c(=O)n12.
What is the InChIKey of 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The InChIKey is QSIJBDARKLARBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-19(15-5-4-6-18(11-15)27-17-8-9-17)12-16-13-23-25(21(26)24(14)16)20-7-2-3-10-22-20/h2-7,10-13,17H,8-9H2,1H3.
What are the key properties of 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one?
7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one has a molecular weight of 358.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one is sourced from PubChem (CID 171620605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).