N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide

C15H20N6O2 — CID 72866954

IUPACN-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1NC(C)=O
InChIInChI=1S/C15H20N6O2/c1-3-5-11-8-20(9-12(11)17-10(2)22)14(23)13-18-15-16-6-4-7-21(15)19-13/h4,6-7,11-12H,3,5,8-9H2,1-2H3,(H,17,22)/t11-,12-/m1/s1
InChIKeyCBMODACQYSNGFZ-VXGBXAGGSA-N
MW316.37 g/mol
LogP0.50
Rot. Bonds4

About N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 72866954) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID72866954
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1NC(C)=O
InChIInChI=1S/C15H20N6O2/c1-3-5-11-8-20(9-12(11)17-10(2)22)14(23)13-18-15-16-6-4-7-21(15)19-13/h4,6-7,11-12H,3,5,8-9H2,1-2H3,(H,17,22)/t11-,12-/m1/s1
InChIKeyCBMODACQYSNGFZ-VXGBXAGGSA-N
XLogP0.50
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide 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-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide (CID 72866954) is N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is CBMODACQYSNGFZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-5-11-8-20(9-12(11)17-10(2)22)14(23)13-18-15-16-6-4-7-21(15)19-13/h4,6-7,11-12H,3,5,8-9H2,1-2H3,(H,17,22)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 316.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72866954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).