1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

C12H19N5O2 — CID 106321230

IUPAC1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCc1nc(C(=O)N2CCC(C)(C(=O)NC)C2)n[nH]1
InChIInChI=1S/C12H19N5O2/c1-4-8-14-9(16-15-8)10(18)17-6-5-12(2,7-17)11(19)13-3/h4-7H2,1-3H3,(H,13,19)(H,14,15,16)
InChIKeyBEYSEZFQLZSNAG-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.03
Rot. Bonds3

About 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321230) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321230
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCc1nc(C(=O)N2CCC(C)(C(=O)NC)C2)n[nH]1
InChIInChI=1S/C12H19N5O2/c1-4-8-14-9(16-15-8)10(18)17-6-5-12(2,7-17)11(19)13-3/h4-7H2,1-3H3,(H,13,19)(H,14,15,16)
InChIKeyBEYSEZFQLZSNAG-UHFFFAOYSA-N
XLogP-0.03
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 103357589
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321245
(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745146
3-methyl-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 114082419
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317421
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750
[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 115301600
1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317446

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321230) is 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is CCc1nc(C(=O)N2CCC(C)(C(=O)NC)C2)n[nH]1.
What is the InChIKey of 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is BEYSEZFQLZSNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-8-14-9(16-15-8)10(18)17-6-5-12(2,7-17)11(19)13-3/h4-7H2,1-3H3,(H,13,19)(H,14,15,16).
What are the key properties of 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).