N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C17H18N6O2 — CID 72876216

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)NCc1nnc2n1CCC2
InChIInChI=1S/C17H18N6O2/c24-16(18-10-15-22-21-14-6-3-9-23(14)15)8-7-13-17(25)20-12-5-2-1-4-11(12)19-13/h1-2,4-5H,3,6-10H2,(H,18,24)(H,20,25)
InChIKeyIWESLESGUPOOGZ-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.71
Rot. Bonds5

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 72876216) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID72876216
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)NCc1nnc2n1CCC2
InChIInChI=1S/C17H18N6O2/c24-16(18-10-15-22-21-14-6-3-9-23(14)15)8-7-13-17(25)20-12-5-2-1-4-11(12)19-13/h1-2,4-5H,3,6-10H2,(H,18,24)(H,20,25)
InChIKeyIWESLESGUPOOGZ-UHFFFAOYSA-N
XLogP0.71
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 72876216) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is O=C(CCc1nc2ccccc2[nH]c1=O)NCc1nnc2n1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is IWESLESGUPOOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(18-10-15-22-21-14-6-3-9-23(14)15)8-7-13-17(25)20-12-5-2-1-4-11(12)19-13/h1-2,4-5H,3,6-10H2,(H,18,24)(H,20,25).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 72876216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).