N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide

C15H16N8O — CID 175650624

IUPACN-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCN(c2ccc3nncn3n2)C1)c1ccncn1
InChIInChI=1S/C15H16N8O/c24-15(12-5-6-16-9-17-12)19-11-2-1-7-22(8-11)14-4-3-13-20-18-10-23(13)21-14/h3-6,9-11H,1-2,7-8H2,(H,19,24)
InChIKeyLARLRQMYIQZKLJ-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.31
Rot. Bonds3

About N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide

N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 175650624) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
PubChem CID175650624
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC NameN-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCN(c2ccc3nncn3n2)C1)c1ccncn1
InChIInChI=1S/C15H16N8O/c24-15(12-5-6-16-9-17-12)19-11-2-1-7-22(8-11)14-4-3-13-20-18-10-23(13)21-14/h3-6,9-11H,1-2,7-8H2,(H,19,24)
InChIKeyLARLRQMYIQZKLJ-UHFFFAOYSA-N
XLogP0.31
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 119105633
2-chloro-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357131
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175649015
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 121022853
N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide
CID 129356285
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650980
4-bromo-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 129356422
2,4-dimethyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357834
N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650599
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 119105652
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
CID 131631786
2-phenoxy-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 121022857

Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide (CID 175650624) is N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide is O=C(NC1CCCN(c2ccc3nncn3n2)C1)c1ccncn1.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is LARLRQMYIQZKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c24-15(12-5-6-16-9-17-12)19-11-2-1-7-22(8-11)14-4-3-13-20-18-10-23(13)21-14/h3-6,9-11H,1-2,7-8H2,(H,19,24).
What are the key properties of N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175650624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).