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

C19H22N4O3 — CID 22514576

IUPAC2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide
SMILESCCCOc1ccc(CNC(=O)C(C)n2ncn3cccc3c2=O)cc1
InChIInChI=1S/C19H22N4O3/c1-3-11-26-16-8-6-15(7-9-16)12-20-18(24)14(2)23-19(25)17-5-4-10-22(17)13-21-23/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,24)
InChIKeyTUTYVJFNJZOYOU-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.16
Rot. Bonds7

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

2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide (PubChem CID 22514576) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide
PubChem CID22514576
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide
SMILESCCCOc1ccc(CNC(=O)C(C)n2ncn3cccc3c2=O)cc1
InChIInChI=1S/C19H22N4O3/c1-3-11-26-16-8-6-15(7-9-16)12-20-18(24)14(2)23-19(25)17-5-4-10-22(17)13-21-23/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,24)
InChIKeyTUTYVJFNJZOYOU-UHFFFAOYSA-N
XLogP2.16
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide (CID 22514576) is 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide is CCCOc1ccc(CNC(=O)C(C)n2ncn3cccc3c2=O)cc1.
What is the InChIKey of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide?
The InChIKey is TUTYVJFNJZOYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-11-26-16-8-6-15(7-9-16)12-20-18(24)14(2)23-19(25)17-5-4-10-22(17)13-21-23/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,24).
What are the key properties of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide?
2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]propanamide is sourced from PubChem (CID 22514576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).