N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide

C10H17N5O2 — CID 43595768

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide
SMILESCN(C(=O)CCn1ccnn1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H17N5O2/c1-14(8-6-11-7-9(8)16)10(17)2-4-15-5-3-12-13-15/h3,5,8-9,11,16H,2,4,6-7H2,1H3/t8-,9-/m1/s1
InChIKeyYJKARUQAGURAAN-RKDXNWHRSA-N
MW239.28 g/mol
LogP-1.54
Rot. Bonds4

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide (PubChem CID 43595768) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide
PubChem CID43595768
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide
SMILESCN(C(=O)CCn1ccnn1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H17N5O2/c1-14(8-6-11-7-9(8)16)10(17)2-4-15-5-3-12-13-15/h3,5,8-9,11,16H,2,4,6-7H2,1H3/t8-,9-/m1/s1
InChIKeyYJKARUQAGURAAN-RKDXNWHRSA-N
XLogP-1.54
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide (CID 43595768) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide is CN(C(=O)CCn1ccnn1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide?
The InChIKey is YJKARUQAGURAAN-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14(8-6-11-7-9(8)16)10(17)2-4-15-5-3-12-13-15/h3,5,8-9,11,16H,2,4,6-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide has a molecular weight of 239.28 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43595768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).