N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide

C10H16N6O2 — CID 107436502

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCn1cnnc1CCNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C10H16N6O2/c1-16-6-14-15-8(16)2-3-11-10(18)7-4-13-9(17)5-12-7/h6-7,12H,2-5H2,1H3,(H,11,18)(H,13,17)
InChIKeyYRSKEPWGJZFXQR-UHFFFAOYSA-N
MW252.28 g/mol
LogP-2.44
Rot. Bonds4

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107436502) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
PubChem CID107436502
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCn1cnnc1CCNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C10H16N6O2/c1-16-6-14-15-8(16)2-3-11-10(18)7-4-13-9(17)5-12-7/h6-7,12H,2-5H2,1H3,(H,11,18)(H,13,17)
InChIKeyYRSKEPWGJZFXQR-UHFFFAOYSA-N
XLogP-2.44
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-2.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63330633
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 114424016
5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
CID 106390933
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxopiperazine-2-carboxamide
CID 107437787
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63330423
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436261
N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437406
6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 63332330
5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide
CID 107436034

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide (CID 107436502) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide is Cn1cnnc1CCNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is YRSKEPWGJZFXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-16-6-14-15-8(16)2-3-11-10(18)7-4-13-9(17)5-12-7/h6-7,12H,2-5H2,1H3,(H,11,18)(H,13,17).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 252.28 g/mol, XLogP of -2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107436502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).