3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

C17H29N5O2 — CID 95773986

IUPAC3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)Cn1cnnc1[C@@H]1CCCN1CCC(=O)N1CCOCC1
InChIInChI=1S/C17H29N5O2/c1-14(2)12-22-13-18-19-17(22)15-4-3-6-20(15)7-5-16(23)21-8-10-24-11-9-21/h13-15H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyGJSIUSPNEFUYDN-HNNXBMFYSA-N
MW335.45 g/mol
LogP1.32
Rot. Bonds6

About 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 95773986) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID95773986
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)Cn1cnnc1[C@@H]1CCCN1CCC(=O)N1CCOCC1
InChIInChI=1S/C17H29N5O2/c1-14(2)12-22-13-18-19-17(22)15-4-3-6-20(15)7-5-16(23)21-8-10-24-11-9-21/h13-15H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyGJSIUSPNEFUYDN-HNNXBMFYSA-N
XLogP1.32
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one 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

4-({3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)morpholine
CID 70720360
1-(3-ethoxypropanoyl)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70704939
1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidino}-3-methoxy-1-propanone
CID 87052168
1-{2-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidino}-2-methoxy-1-ethanone
CID 87052179
(1-Tert-butyl-1,2,4-triazol-3-yl)-(2-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 128471777
3-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]propanamide formate
CID 131935851
4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide
CID 132971174
4-(1-methyl-4-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-oxobutyl)morpholine
CID 50954415
N-cyclopentyl-3-{2-[[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amino]-2-oxoethyl}-4-morpholinecarboxamide
CID 56912383
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
CID 71872424
4-[4-cyclopropyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(ethoxyacetyl)piperidine
CID 72899281
N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide
CID 118793838

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 95773986) is 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C)Cn1cnnc1[C@@H]1CCCN1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is GJSIUSPNEFUYDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-14(2)12-22-13-18-19-17(22)15-4-3-6-20(15)7-5-16(23)21-8-10-24-11-9-21/h13-15H,3-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 335.45 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95773986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).