[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C17H25N5O3 — CID 56803163

IUPAC[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1
InChIInChI=1S/C17H25N5O3/c1-3-25-12-15(23)11-20-6-8-21(9-7-20)17(24)14-4-5-16-19-18-13(2)22(16)10-14/h4-5,10,15,23H,3,6-9,11-12H2,1-2H3
InChIKeyWMOZMYHSGPXRET-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.19
Rot. Bonds6

About [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 56803163) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID56803163
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1
InChIInChI=1S/C17H25N5O3/c1-3-25-12-15(23)11-20-6-8-21(9-7-20)17(24)14-4-5-16-19-18-13(2)22(16)10-14/h4-5,10,15,23H,3,6-9,11-12H2,1-2H3
InChIKeyWMOZMYHSGPXRET-UHFFFAOYSA-N
XLogP0.19
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-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

[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 95613674
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 95322537
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-thiomorpholin-4-ylmethanone
CID 97211527
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 84614360
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95759484
(2,4-difluorophenyl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95328976
2-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]thiophene-3-carbonitrile
CID 56803156
2-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazine-1-carbonyl]thiophene-3-carbonitrile
CID 95613707
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 86966453
(2-chloro-4-fluorophenyl)-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95322496
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 156585343

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 56803163) is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is CCOCC(O)CN1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1.
What is the InChIKey of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is WMOZMYHSGPXRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-3-25-12-15(23)11-20-6-8-21(9-7-20)17(24)14-4-5-16-19-18-13(2)22(16)10-14/h4-5,10,15,23H,3,6-9,11-12H2,1-2H3.
What are the key properties of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 56803163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).