1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide

C17H23ClN6O — CID 70786137

IUPAC1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NCC(c2ccccc2Cl)N2CCCC2)nn1
InChIInChI=1S/C17H23ClN6O/c18-14-6-2-1-5-13(14)16(23-8-3-4-9-23)11-20-17(25)15-12-24(10-7-19)22-21-15/h1-2,5-6,12,16H,3-4,7-11,19H2,(H,20,25)
InChIKeyPLUWDPYNJQCHRZ-UHFFFAOYSA-N
MW362.87 g/mol
LogP1.46
Rot. Bonds7

About 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide (PubChem CID 70786137) has the molecular formula C17H23ClN6O and a molecular weight of 362.87 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide
PubChem CID70786137
Molecular FormulaC17H23ClN6O
Molecular Weight362.87 g/mol
Exact Mass362.16
IUPAC Name1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NCC(c2ccccc2Cl)N2CCCC2)nn1
InChIInChI=1S/C17H23ClN6O/c18-14-6-2-1-5-13(14)16(23-8-3-4-9-23)11-20-17(25)15-12-24(10-7-19)22-21-15/h1-2,5-6,12,16H,3-4,7-11,19H2,(H,20,25)
InChIKeyPLUWDPYNJQCHRZ-UHFFFAOYSA-N
XLogP1.46
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.87
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
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N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
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N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
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N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
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N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
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N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
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N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 39959510
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide (CID 70786137) is 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide is NCCn1cc(C(=O)NCC(c2ccccc2Cl)N2CCCC2)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide?
The InChIKey is PLUWDPYNJQCHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O/c18-14-6-2-1-5-13(14)16(23-8-3-4-9-23)11-20-17(25)15-12-24(10-7-19)22-21-15/h1-2,5-6,12,16H,3-4,7-11,19H2,(H,20,25).
What are the key properties of 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide has a molecular weight of 362.87 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide is sourced from PubChem (CID 70786137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).