N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C11H20N6O — CID 67184418

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C11H20N6O/c1-2-16-5-7-17(8-6-16)4-3-12-11(18)10-13-9-14-15-10/h9H,2-8H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyCGPLTZAIDVYLOJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.83
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 67184418) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID67184418
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C11H20N6O/c1-2-16-5-7-17(8-6-16)4-3-12-11(18)10-13-9-14-15-10/h9H,2-8H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyCGPLTZAIDVYLOJ-UHFFFAOYSA-N
XLogP-0.83
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-Isopropyl-5-(1,2,4-triazol-4-YL)-1H-1,2,4-triazole-3-carboxamide
CID 6497092
1H-1,2,4-triazol-3-yl-N-(2-morpholin-4-ylethyl)carboxamide
CID 567711
1,1-diethyl-3-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 79162269
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 90793360
(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 145336263
4-(1H-[1,2,4]Triazole-3-carbonyl)-piperazine-1-carboxylic acid ethyl ester
CID 544939
N-((1r,4r)-4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79121887
N-(1-(4-aminobutanoyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 118946460
N-(1-(3-aminopropanoyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 132219893
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4H-1,2,4-triazole-3-carboxamide
CID 132228233

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 67184418) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is CCN1CCN(CCNC(=O)c2ncn[nH]2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CGPLTZAIDVYLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-2-16-5-7-17(8-6-16)4-3-12-11(18)10-13-9-14-15-10/h9H,2-8H2,1H3,(H,12,18)(H,13,14,15).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 67184418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).