3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one

C14H15N7O2 — CID 137182026

IUPAC3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(c1ccc2nncn2c1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H15N7O2/c22-13(10-3-4-11-17-15-8-21(11)7-10)20-5-1-2-9(6-20)12-16-14(23)19-18-12/h3-4,7-9H,1-2,5-6H2,(H2,16,18,19,23)
InChIKeySJUKRELENRNNJW-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.16
Rot. Bonds2

About 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137182026) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137182026
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(c1ccc2nncn2c1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H15N7O2/c22-13(10-3-4-11-17-15-8-21(11)7-10)20-5-1-2-9(6-20)12-16-14(23)19-18-12/h3-4,7-9H,1-2,5-6H2,(H2,16,18,19,23)
InChIKeySJUKRELENRNNJW-UHFFFAOYSA-N
XLogP0.16
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(pyrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 166278119
piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491
(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 124661275
3-[(3R)-1-(3-chloro-5-methoxybenzoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137210454
N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 136554466
N,N-dimethyl-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 136543163
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136799295
3-[1-[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136541152
[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96513290
3-[(3R)-1-(4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242439
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71871964

Frequently Asked Questions

What is the IUPAC name of 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137182026) is 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(c1ccc2nncn2c1)N1CCCC(c2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is SJUKRELENRNNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c22-13(10-3-4-11-17-15-8-21(11)7-10)20-5-1-2-9(6-20)12-16-14(23)19-18-12/h3-4,7-9H,1-2,5-6H2,(H2,16,18,19,23).
What are the key properties of 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 313.32 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137182026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).