N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C15H19N7O2 — CID 136554466

IUPACN-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C2CC2)nn1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C15H19N7O2/c23-14-17-13(20-21-14)10-2-1-7-22(8-10)15(24)16-12-6-5-11(18-19-12)9-3-4-9/h5-6,9-10H,1-4,7-8H2,(H,16,19,24)(H2,17,20,21,23)
InChIKeyFJFIEPJUROJCDN-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.18
Rot. Bonds3

About N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 136554466) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID136554466
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C2CC2)nn1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C15H19N7O2/c23-14-17-13(20-21-14)10-2-1-7-22(8-10)15(24)16-12-6-5-11(18-19-12)9-3-4-9/h5-6,9-10H,1-4,7-8H2,(H,16,19,24)(H2,17,20,21,23)
InChIKeyFJFIEPJUROJCDN-UHFFFAOYSA-N
XLogP1.18
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide
CID 128508404
N,N-dimethyl-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 136543163
N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 128508405
N-(6-cyclopropylpyridazin-3-yl)-7,7-dimethyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 126834188
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
3-[1-[4-(bromomethylidene)piperidine-1-carbonyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 167755293
N-(6-cyclopropylpyridazin-3-yl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 127624710
3-[1-(pyrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 166278119
N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 127624784
3-[1-[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136541152
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-[1-[3-(oxan-2-yl)propanoyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137182018

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 136554466) is N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide is O=C(Nc1ccc(C2CC2)nn1)N1CCCC(c2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is FJFIEPJUROJCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c23-14-17-13(20-21-14)10-2-1-7-22(8-10)15(24)16-12-6-5-11(18-19-12)9-3-4-9/h5-6,9-10H,1-4,7-8H2,(H,16,19,24)(H2,17,20,21,23).
What are the key properties of N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136554466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).