4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one

C19H23N5O — CID 95221633

IUPAC4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c([C@@H]2CCCN(c3ccc4ccccc4n3)C2)nn(C)c1=O
InChIInChI=1S/C19H23N5O/c1-3-24-18(21-22(2)19(24)25)15-8-6-12-23(13-15)17-11-10-14-7-4-5-9-16(14)20-17/h4-5,7,9-11,15H,3,6,8,12-13H2,1-2H3/t15-/m1/s1
InChIKeyWEFJYXWIHPDZMT-OAHLLOKOSA-N
MW337.43 g/mol
LogP2.53
Rot. Bonds3

About 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one (PubChem CID 95221633) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one
PubChem CID95221633
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c([C@@H]2CCCN(c3ccc4ccccc4n3)C2)nn(C)c1=O
InChIInChI=1S/C19H23N5O/c1-3-24-18(21-22(2)19(24)25)15-8-6-12-23(13-15)17-11-10-14-7-4-5-9-16(14)20-17/h4-5,7,9-11,15H,3,6,8,12-13H2,1-2H3/t15-/m1/s1
InChIKeyWEFJYXWIHPDZMT-OAHLLOKOSA-N
XLogP2.53
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one 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 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one (CID 95221633) is 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one is CCn1c([C@@H]2CCCN(c3ccc4ccccc4n3)C2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one?
The InChIKey is WEFJYXWIHPDZMT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-24-18(21-22(2)19(24)25)15-8-6-12-23(13-15)17-11-10-14-7-4-5-9-16(14)20-17/h4-5,7,9-11,15H,3,6,8,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one has a molecular weight of 337.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[(3R)-1-quinolin-2-ylpiperidin-3-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 95221633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).