3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide

C16H19ClN4O2 — CID 94024472

IUPAC3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1nnc2n1CCC2
InChIInChI=1S/C16H19ClN4O2/c1-11(16-20-19-14-6-3-8-21(14)16)18-15(22)7-9-23-13-5-2-4-12(17)10-13/h2,4-5,10-11H,3,6-9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyCRONFNVXRLEVAR-LLVKDONJSA-N
MW334.81 g/mol
LogP2.52
Rot. Bonds6

About 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide

3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide (PubChem CID 94024472) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
PubChem CID94024472
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1nnc2n1CCC2
InChIInChI=1S/C16H19ClN4O2/c1-11(16-20-19-14-6-3-8-21(14)16)18-15(22)7-9-23-13-5-2-4-12(17)10-13/h2,4-5,10-11H,3,6-9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyCRONFNVXRLEVAR-LLVKDONJSA-N
XLogP2.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide 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

3-(2-chlorophenoxy)-N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 94024435
3-(4-fluorophenoxy)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propanamide
CID 94048016
2-(2-chlorophenyl)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 37172997
3-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propanamide
CID 43711703
2-(cyclopropylmethylamino)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]acetamide
CID 60866191
N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 95155743
6-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 62233467
2-(butan-2-ylamino)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]acetamide
CID 54925341
(1R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 97021699
(1S)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 97021698
2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid
CID 62696320
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 95156635

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide (CID 94024472) is 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide is C[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1nnc2n1CCC2.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide?
The InChIKey is CRONFNVXRLEVAR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11(16-20-19-14-6-3-8-21(14)16)18-15(22)7-9-23-13-5-2-4-12(17)10-13/h2,4-5,10-11H,3,6-9H2,1H3,(H,18,22)/t11-/m1/s1.
What are the key properties of 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide?
3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide has a molecular weight of 334.81 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 94024472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).