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

C14H13N3O2 — CID 135509921

IUPAC5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(OCc2ccccc2)cn2nc[nH]c(=O)c12
InChIInChI=1S/C14H13N3O2/c1-10-12(19-8-11-5-3-2-4-6-11)7-17-13(10)14(18)15-9-16-17/h2-7,9H,8H2,1H3,(H,15,16,18)
InChIKeyPUSGMIOQZISFKO-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.91
Rot. Bonds3

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

5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135509921) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135509921
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(OCc2ccccc2)cn2nc[nH]c(=O)c12
InChIInChI=1S/C14H13N3O2/c1-10-12(19-8-11-5-3-2-4-6-11)7-17-13(10)14(18)15-9-16-17/h2-7,9H,8H2,1H3,(H,15,16,18)
InChIKeyPUSGMIOQZISFKO-UHFFFAOYSA-N
XLogP1.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 44467270
N-ethyl-2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 44467496
N-[(4-Ethoxyphenyl)methyl]-2-{1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}propanamide
CID 16017002
N-[(2-Ethoxyphenyl)methyl]-2-{1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}propanamide
CID 22514574
N-(2-methoxybenzyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514370
N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514392
2-{1-Oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
CID 22514395
N-[(4-Ethoxyphenyl)methyl]-2-{1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamide
CID 22514398
N-[(2-Ethoxyphenyl)methyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamide
CID 22514508
2-{1-Oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}-N-[(4-propoxyphenyl)methyl]propanamide
CID 22514576
N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
CID 126458446
2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 126458651

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135509921) is 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(OCc2ccccc2)cn2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is PUSGMIOQZISFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-12(19-8-11-5-3-2-4-6-11)7-17-13(10)14(18)15-9-16-17/h2-7,9H,8H2,1H3,(H,15,16,18).
What are the key properties of 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 255.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135509921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).