2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone

C14H23N5O — CID 115459724

IUPAC2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
SMILESNCc1cn(CC(=O)N2CCCC2C2CCCC2)nn1
InChIInChI=1S/C14H23N5O/c15-8-12-9-18(17-16-12)10-14(20)19-7-3-6-13(19)11-4-1-2-5-11/h9,11,13H,1-8,10,15H2
InChIKeyOIMUYDUHSLPNSO-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.92
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone

2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone (PubChem CID 115459724) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
PubChem CID115459724
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
SMILESNCc1cn(CC(=O)N2CCCC2C2CCCC2)nn1
InChIInChI=1S/C14H23N5O/c15-8-12-9-18(17-16-12)10-14(20)19-7-3-6-13(19)11-4-1-2-5-11/h9,11,13H,1-8,10,15H2
InChIKeyOIMUYDUHSLPNSO-UHFFFAOYSA-N
XLogP0.92
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 115459780
1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 121208743
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 115460124
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
CID 42886235
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid
CID 154763081
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-amino-3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735110
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 115459404
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone (CID 115459724) is 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone is NCc1cn(CC(=O)N2CCCC2C2CCCC2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone?
The InChIKey is OIMUYDUHSLPNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c15-8-12-9-18(17-16-12)10-14(20)19-7-3-6-13(19)11-4-1-2-5-11/h9,11,13H,1-8,10,15H2.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone?
2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone has a molecular weight of 277.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 115459724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).