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

C14H24N6O — CID 115459483

IUPAC2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESNCc1cn(CC(=O)N2CCC(N3CCCC3)CC2)nn1
InChIInChI=1S/C14H24N6O/c15-9-12-10-20(17-16-12)11-14(21)19-7-3-13(4-8-19)18-5-1-2-6-18/h10,13H,1-9,11,15H2
InChIKeyFALILCZSKDHURT-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.18
Rot. Bonds4

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

2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 115459483) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID115459483
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESNCc1cn(CC(=O)N2CCC(N3CCCC3)CC2)nn1
InChIInChI=1S/C14H24N6O/c15-9-12-10-20(17-16-12)11-14(21)19-7-3-13(4-8-19)18-5-1-2-6-18/h10,13H,1-9,11,15H2
InChIKeyFALILCZSKDHURT-UHFFFAOYSA-N
XLogP-0.18
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 113314176
2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid
CID 115459912
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
2-[4-(aminomethyl)triazol-1-yl]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 113314232
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
ethyl 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-3-carboxylate
CID 115458921
2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 115459724
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 115459133
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide
CID 115460242
2-(4-aminotriazol-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 112531193
1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
CID 106221205

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 115459483) is 2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is NCc1cn(CC(=O)N2CCC(N3CCCC3)CC2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is FALILCZSKDHURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c15-9-12-10-20(17-16-12)11-14(21)19-7-3-13(4-8-19)18-5-1-2-6-18/h10,13H,1-9,11,15H2.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 292.39 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 115459483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).