N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide

C15H18N4O2 — CID 47016884

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCc1nnc2n1CCC2
InChIInChI=1S/C15H18N4O2/c1-21-12-6-3-2-5-11(12)9-15(20)16-10-14-18-17-13-7-4-8-19(13)14/h2-3,5-6H,4,7-10H2,1H3,(H,16,20)
InChIKeyDRDFQLJRVDPLBS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.09
Rot. Bonds5

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide (PubChem CID 47016884) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide
PubChem CID47016884
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCc1nnc2n1CCC2
InChIInChI=1S/C15H18N4O2/c1-21-12-6-3-2-5-11(12)9-15(20)16-10-14-18-17-13-7-4-8-19(13)14/h2-3,5-6H,4,7-10H2,1H3,(H,16,20)
InChIKeyDRDFQLJRVDPLBS-UHFFFAOYSA-N
XLogP1.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide (CID 47016884) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCc1nnc2n1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is DRDFQLJRVDPLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-12-6-3-2-5-11(12)9-15(20)16-10-14-18-17-13-7-4-8-19(13)14/h2-3,5-6H,4,7-10H2,1H3,(H,16,20).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 47016884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).