2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one

C16H17N3O2 — CID 72900070

IUPAC2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=c1c2cccn2cnn1CCCOCc1ccccc1
InChIInChI=1S/C16H17N3O2/c20-16-15-8-4-9-18(15)13-17-19(16)10-5-11-21-12-14-6-2-1-3-7-14/h1-4,6-9,13H,5,10-12H2
InChIKeyPYXPFPNIVISNLF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.10
Rot. Bonds6

About 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one

2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 72900070) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID72900070
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=c1c2cccn2cnn1CCCOCc1ccccc1
InChIInChI=1S/C16H17N3O2/c20-16-15-8-4-9-18(15)13-17-19(16)10-5-11-21-12-14-6-2-1-3-7-14/h1-4,6-9,13H,5,10-12H2
InChIKeyPYXPFPNIVISNLF-UHFFFAOYSA-N
XLogP2.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514381
1-(11-phenylmethoxyundecyl)pyrazole
CID 171475049
1-(3-phenylmethoxypropyl)imidazol-2-amine
CID 165466096
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one
CID 130948949
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide
CID 24728036
2-[3-methyl-5-(3-phenylmethoxypropyl)-1,2,4-triazol-1-yl]acetic acid
CID 72845534
tribromo(3-phenylmethoxypropyl)silane
CID 66954985
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
1-iodo-3,5-bis(3-phenylmethoxypropyl)benzene
CID 10907222

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 72900070) is 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one is O=c1c2cccn2cnn1CCCOCc1ccccc1.
What is the InChIKey of 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is PYXPFPNIVISNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16-15-8-4-9-18(15)13-17-19(16)10-5-11-21-12-14-6-2-1-3-7-14/h1-4,6-9,13H,5,10-12H2.
What are the key properties of 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one?
2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 283.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 72900070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).