N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide

C17H18N4O3 — CID 126458446

IUPACN-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
SMILESCOc1ccccc1CNC(=O)C(C)n1ncn2cccc2c1=O
InChIInChI=1S/C17H18N4O3/c1-12(21-17(23)14-7-5-9-20(14)11-19-21)16(22)18-10-13-6-3-4-8-15(13)24-2/h3-9,11-12H,10H2,1-2H3,(H,18,22)
InChIKeyFRUBNMACMSBJFU-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.38
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide

N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide (PubChem CID 126458446) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
PubChem CID126458446
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
SMILESCOc1ccccc1CNC(=O)C(C)n1ncn2cccc2c1=O
InChIInChI=1S/C17H18N4O3/c1-12(21-17(23)14-7-5-9-20(14)11-19-21)16(22)18-10-13-6-3-4-8-15(13)24-2/h3-9,11-12H,10H2,1-2H3,(H,18,22)
InChIKeyFRUBNMACMSBJFU-UHFFFAOYSA-N
XLogP1.38
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 6880157
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
CID 24820011
Pyrazole scaffold, 16
CID 25218470
N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9580672
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)pyridine-3-carboxamide
CID 9657252
N-[(3S)-3-[(3-ethoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 59475183
4-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide
CID 166705651
4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489218
N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489228
[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 3233235
[9-[(2-Methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylpyrrol-2-yl)methanone
CID 3233696
1-(2-methoxybenzyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)prolinamide
CID 3243598

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide (CID 126458446) is N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide is COc1ccccc1CNC(=O)C(C)n1ncn2cccc2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
The InChIKey is FRUBNMACMSBJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12(21-17(23)14-7-5-9-20(14)11-19-21)16(22)18-10-13-6-3-4-8-15(13)24-2/h3-9,11-12H,10H2,1-2H3,(H,18,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide is sourced from PubChem (CID 126458446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).