[(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone

C9H15N5O — CID 115302130

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCCc1nc(C(=O)N2CC[C@H](N)C2)n[nH]1
InChIInChI=1S/C9H15N5O/c1-2-7-11-8(13-12-7)9(15)14-4-3-6(10)5-14/h6H,2-5,10H2,1H3,(H,11,12,13)/t6-/m0/s1
InChIKeyDFKQUCWFBFZFJK-LURJTMIESA-N
MW209.25 g/mol
LogP-0.46
Rot. Bonds2

About [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone

[(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 115302130) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID115302130
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCCc1nc(C(=O)N2CC[C@H](N)C2)n[nH]1
InChIInChI=1S/C9H15N5O/c1-2-7-11-8(13-12-7)9(15)14-4-3-6(10)5-14/h6H,2-5,10H2,1H3,(H,11,12,13)/t6-/m0/s1
InChIKeyDFKQUCWFBFZFJK-LURJTMIESA-N
XLogP-0.46
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 115301600
methyl 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 114009914
[(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 115301643
(2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 114086861
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 81474464
(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 81119527
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 104968244
(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745146
[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 114398187
(2-ethylazepan-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 104691203
1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775435
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone (CID 115302130) is [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone is CCc1nc(C(=O)N2CC[C@H](N)C2)n[nH]1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is DFKQUCWFBFZFJK-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-7-11-8(13-12-7)9(15)14-4-3-6(10)5-14/h6H,2-5,10H2,1H3,(H,11,12,13)/t6-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone?
[(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 115302130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).