[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone

C15H20N4O2 — CID 155881609

IUPAC[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESCCn1cnnc1CCC1CCCN1C(=O)c1ccco1
InChIInChI=1S/C15H20N4O2/c1-2-18-11-16-17-14(18)8-7-12-5-3-9-19(12)15(20)13-6-4-10-21-13/h4,6,10-12H,2-3,5,7-9H2,1H3
InChIKeyUUOHHNWCLURIFC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.13
Rot. Bonds5

About [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone

[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 155881609) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID155881609
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESCCn1cnnc1CCC1CCCN1C(=O)c1ccco1
InChIInChI=1S/C15H20N4O2/c1-2-18-11-16-17-14(18)8-7-12-5-3-9-19(12)15(20)13-6-4-10-21-13/h4,6,10-12H,2-3,5,7-9H2,1H3
InChIKeyUUOHHNWCLURIFC-UHFFFAOYSA-N
XLogP2.13
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-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

[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 155881600
furan-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651190
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
[2-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 155881662
[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 74554943
[2-[2-(4-benzyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 155881579
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
[2-[2-(4-benzyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 155881584
1-[2-[2-(4-benzyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 155881570
1-[2-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 155881635
[5-(3-methylphenyl)-1,3-oxazol-4-yl]-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone
CID 155881706
[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 155882087

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone (CID 155881609) is [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone is CCn1cnnc1CCC1CCCN1C(=O)c1ccco1.
What is the InChIKey of [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is UUOHHNWCLURIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-18-11-16-17-14(18)8-7-12-5-3-9-19(12)15(20)13-6-4-10-21-13/h4,6,10-12H,2-3,5,7-9H2,1H3.
What are the key properties of [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone?
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 155881609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).