3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one

C19H24N6O2 — CID 95200078

IUPAC3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c([C@@H]2CCCN(C(=O)c3nn(C)c4ccc(C)cc34)C2)n[nH]c1=O
InChIInChI=1S/C19H24N6O2/c1-4-25-17(20-21-19(25)27)13-6-5-9-24(11-13)18(26)16-14-10-12(2)7-8-15(14)23(3)22-16/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,21,27)/t13-/m1/s1
InChIKeyDPTFLNLYNUQZGR-CYBMUJFWSA-N
MW368.44 g/mol
LogP1.81
Rot. Bonds3

About 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one

3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 95200078) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID95200078
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c([C@@H]2CCCN(C(=O)c3nn(C)c4ccc(C)cc34)C2)n[nH]c1=O
InChIInChI=1S/C19H24N6O2/c1-4-25-17(20-21-19(25)27)13-6-5-9-24(11-13)18(26)16-14-10-12(2)7-8-15(14)23(3)22-16/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,21,27)/t13-/m1/s1
InChIKeyDPTFLNLYNUQZGR-CYBMUJFWSA-N
XLogP1.81
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56702148
3-[(3S)-1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95205468
4-ethyl-3-[(3R)-1-[3-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95193570
1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 56702577
4-ethyl-3-[(3R)-1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95222447
4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95219910
3-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95228814
3-[(3R)-1-(2-hydroxy-5-methylbenzoyl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 95222667
3-[1-(2-hydroxy-5-methylbenzoyl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56719208
4-ethyl-2-methyl-5-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95213380
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide
CID 95227494
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one (CID 95200078) is 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one is CCn1c([C@@H]2CCCN(C(=O)c3nn(C)c4ccc(C)cc34)C2)n[nH]c1=O.
What is the InChIKey of 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is DPTFLNLYNUQZGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-4-25-17(20-21-19(25)27)13-6-5-9-24(11-13)18(26)16-14-10-12(2)7-8-15(14)23(3)22-16/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,21,27)/t13-/m1/s1.
What are the key properties of 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one?
3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 368.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 95200078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).