1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid

C10H15N5O3 — CID 103248575

IUPAC1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC2CCCNC2=O)nn1
InChIInChI=1S/C10H15N5O3/c16-9-7(2-1-3-12-9)11-4-5-15-6-8(10(17)18)13-14-15/h6-7,11H,1-5H2,(H,12,16)(H,17,18)
InChIKeyYYVKIUUEZRFSMU-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.16
Rot. Bonds5

About 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 103248575) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID103248575
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC2CCCNC2=O)nn1
InChIInChI=1S/C10H15N5O3/c16-9-7(2-1-3-12-9)11-4-5-15-6-8(10(17)18)13-14-15/h6-7,11H,1-5H2,(H,12,16)(H,17,18)
InChIKeyYYVKIUUEZRFSMU-UHFFFAOYSA-N
XLogP-1.16
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103255513
1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 103249483
1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid
CID 103251315
1-[2-[(4-methylcycloheptyl)amino]ethyl]triazole-4-carboxylic acid
CID 114100939
1-[2-[(4-carbamoylcyclohexyl)amino]ethyl]triazole-4-carboxylic acid
CID 103242627
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]azepan-2-one
CID 66268661
1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103231380
1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 103268366
1-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 103256339
1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid
CID 83020136
1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 114126015
1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66288927

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid (CID 103248575) is 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid is O=C(O)c1cn(CCNC2CCCNC2=O)nn1.
What is the InChIKey of 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is YYVKIUUEZRFSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c16-9-7(2-1-3-12-9)11-4-5-15-6-8(10(17)18)13-14-15/h6-7,11H,1-5H2,(H,12,16)(H,17,18).
What are the key properties of 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103248575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).