3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide

C12H21N5O — CID 113412815

IUPAC3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide
SMILESO=C(CCC1CCNC1)NCCCn1ccnn1
InChIInChI=1S/C12H21N5O/c18-12(3-2-11-4-6-13-10-11)14-5-1-8-17-9-7-15-16-17/h7,9,11,13H,1-6,8,10H2,(H,14,18)
InChIKeyIIMVWCQLSZQVFJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.17
Rot. Bonds7

About 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide

3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide (PubChem CID 113412815) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide
PubChem CID113412815
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide
SMILESO=C(CCC1CCNC1)NCCCn1ccnn1
InChIInChI=1S/C12H21N5O/c18-12(3-2-11-4-6-13-10-11)14-5-1-8-17-9-7-15-16-17/h7,9,11,13H,1-6,8,10H2,(H,14,18)
InChIKeyIIMVWCQLSZQVFJ-UHFFFAOYSA-N
XLogP0.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
CID 126444957
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656
(3aS,6aS)-5-methyl-N-[3-(triazol-1-yl)propyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 133117954
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
CID 115774837
2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride
CID 119536549
N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
CID 43601596
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627
3-(benzenesulfonyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 91829405
1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide
CID 113413001
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide?
The IUPAC name of 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide (CID 113412815) is 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide is O=C(CCC1CCNC1)NCCCn1ccnn1.
What is the InChIKey of 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide?
The InChIKey is IIMVWCQLSZQVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c18-12(3-2-11-4-6-13-10-11)14-5-1-8-17-9-7-15-16-17/h7,9,11,13H,1-6,8,10H2,(H,14,18).
What are the key properties of 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide?
3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide is sourced from PubChem (CID 113412815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).