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

C17H25N5O2 — CID 86966453

IUPAC[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCCC1CN(C(=O)c2ccc3nnc(C)n3c2)CCN1CCOC
InChIInChI=1S/C17H25N5O2/c1-4-15-12-21(8-7-20(15)9-10-24-3)17(23)14-5-6-16-19-18-13(2)22(16)11-14/h5-6,11,15H,4,7-10,12H2,1-3H3
InChIKeyBFHLWRFETPNYEW-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.22
Rot. Bonds5

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

[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 86966453) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID86966453
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCCC1CN(C(=O)c2ccc3nnc(C)n3c2)CCN1CCOC
InChIInChI=1S/C17H25N5O2/c1-4-15-12-21(8-7-20(15)9-10-24-3)17(23)14-5-6-16-19-18-13(2)22(16)11-14/h5-6,11,15H,4,7-10,12H2,1-3H3
InChIKeyBFHLWRFETPNYEW-UHFFFAOYSA-N
XLogP1.22
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120646440
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
CID 71875566
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 84614360
6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 97028133
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-thiomorpholin-4-ylmethanone
CID 97211527
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86966440
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 156585343
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 56803163
2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86966455
2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210810
(2S)-2-amino-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119880381
(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96570693

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 86966453) is [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is CCC1CN(C(=O)c2ccc3nnc(C)n3c2)CCN1CCOC.
What is the InChIKey of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is BFHLWRFETPNYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-15-12-21(8-7-20(15)9-10-24-3)17(23)14-5-6-16-19-18-13(2)22(16)11-14/h5-6,11,15H,4,7-10,12H2,1-3H3.
What are the key properties of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 86966453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).