ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate

C17H24N4O3 — CID 134798108

IUPACethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCc3nnc(C4CC4)n32)CC1
InChIInChI=1S/C17H24N4O3/c1-2-24-17(23)12-7-9-20(10-8-12)16(22)13-5-6-14-18-19-15(21(13)14)11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyKAQFEHVMCWCCBE-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.44
Rot. Bonds4

About ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate

ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 134798108) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID134798108
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCc3nnc(C4CC4)n32)CC1
InChIInChI=1S/C17H24N4O3/c1-2-24-17(23)12-7-9-20(10-8-12)16(22)13-5-6-14-18-19-15(21(13)14)11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyKAQFEHVMCWCCBE-UHFFFAOYSA-N
XLogP1.44
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate (CID 134798108) is ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CCc3nnc(C4CC4)n32)CC1.
What is the InChIKey of ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is KAQFEHVMCWCCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-2-24-17(23)12-7-9-20(10-8-12)16(22)13-5-6-14-18-19-15(21(13)14)11-3-4-11/h11-13H,2-10H2,1H3.
What are the key properties of ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate?
ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 134798108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).