[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

C7H11N5O — CID 115301640

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C7H11N5O/c8-5-1-2-12(4-5)7(13)6-3-9-11-10-6/h3,5H,1-2,4,8H2,(H,9,10,11)/t5-/m1/s1
InChIKeyKFEKELFANZEXES-RXMQYKEDSA-N
MW181.20 g/mol
LogP-1.02
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 115301640) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID115301640
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C7H11N5O/c8-5-1-2-12(4-5)7(13)6-3-9-11-10-6/h3,5H,1-2,4,8H2,(H,9,10,11)/t5-/m1/s1
InChIKeyKFEKELFANZEXES-RXMQYKEDSA-N
XLogP-1.02
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 72882169
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone
CID 63283420

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (CID 115301640) is [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is N[C@@H]1CCN(C(=O)c2cn[nH]n2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is KFEKELFANZEXES-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11N5O/c8-5-1-2-12(4-5)7(13)6-3-9-11-10-6/h3,5H,1-2,4,8H2,(H,9,10,11)/t5-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 181.20 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 115301640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).