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

C11H19N5O — CID 114793921

IUPAC5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCC2CCCN2)n[nH]1
InChIInChI=1S/C11H19N5O/c1-2-9-14-10(16-15-9)11(17)13-7-5-8-4-3-6-12-8/h8,12H,2-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyCDIUYDBMVMRHIV-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.24
Rot. Bonds5

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

5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114793921) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID114793921
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCC2CCCN2)n[nH]1
InChIInChI=1S/C11H19N5O/c1-2-9-14-10(16-15-9)11(17)13-7-5-8-4-3-6-12-8/h8,12H,2-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyCDIUYDBMVMRHIV-UHFFFAOYSA-N
XLogP0.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114137118
5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 104982379
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106599359
5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide
CID 104971654
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 104955274
N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106609199

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide (CID 114793921) is 5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCCC2CCCN2)n[nH]1.
What is the InChIKey of 5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is CDIUYDBMVMRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-9-14-10(16-15-9)11(17)13-7-5-8-4-3-6-12-8/h8,12H,2-7H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114793921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).