5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide

C11H15N5O — CID 106391218

IUPAC5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCn2cccc2)n[nH]1
InChIInChI=1S/C11H15N5O/c1-2-9-13-10(15-14-9)11(17)12-5-8-16-6-3-4-7-16/h3-4,6-7H,2,5,8H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyRWTIHMRRCFPXGP-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.60
Rot. Bonds5

About 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide

5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106391218) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID106391218
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCn2cccc2)n[nH]1
InChIInChI=1S/C11H15N5O/c1-2-9-13-10(15-14-9)11(17)12-5-8-16-6-3-4-7-16/h3-4,6-7H,2,5,8H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyRWTIHMRRCFPXGP-UHFFFAOYSA-N
XLogP0.60
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 115303347
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 112671881
N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114137118
5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 114793921
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 103010377
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420
1-butyl-3-(2-pyrrol-1-ylethyl)urea
CID 103740925
N-(3-bromo-2-methylphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 107629541
5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114180836

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide (CID 106391218) is 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCCn2cccc2)n[nH]1.
What is the InChIKey of 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is RWTIHMRRCFPXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-9-13-10(15-14-9)11(17)12-5-8-16-6-3-4-7-16/h3-4,6-7H,2,5,8H2,1H3,(H,12,17)(H,13,14,15).
What are the key properties of 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 233.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106391218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).