5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C14H13N3O3 — CID 135550695

IUPAC5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1c(OCc2ccccc2)cn2nc[nH]c(=O)c12
InChIInChI=1S/C14H13N3O3/c1-19-13-11(20-8-10-5-3-2-4-6-10)7-17-12(13)14(18)15-9-16-17/h2-7,9H,8H2,1H3,(H,15,16,18)
InChIKeyVUWTZQUHSFKDOY-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.61
Rot. Bonds4

About 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135550695) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135550695
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1c(OCc2ccccc2)cn2nc[nH]c(=O)c12
InChIInChI=1S/C14H13N3O3/c1-19-13-11(20-8-10-5-3-2-4-6-10)7-17-12(13)14(18)15-9-16-17/h2-7,9H,8H2,1H3,(H,15,16,18)
InChIKeyVUWTZQUHSFKDOY-UHFFFAOYSA-N
XLogP1.61
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135550695) is 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is COc1c(OCc2ccccc2)cn2nc[nH]c(=O)c12.
What is the InChIKey of 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is VUWTZQUHSFKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-19-13-11(20-8-10-5-3-2-4-6-10)7-17-12(13)14(18)15-9-16-17/h2-7,9H,8H2,1H3,(H,15,16,18).
What are the key properties of 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 271.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135550695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).