N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide

C14H15N7O2 — CID 126920414

IUPACN,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C14H15N7O2/c1-9-11(5-16-23-9)14(22)19(2)10-6-20(7-10)13-4-3-12-17-15-8-21(12)18-13/h3-5,8,10H,6-7H2,1-2H3
InChIKeyGUVKFCZCQCKXTG-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.38
Rot. Bonds3

About N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide

N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 126920414) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID126920414
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C14H15N7O2/c1-9-11(5-16-23-9)14(22)19(2)10-6-20(7-10)13-4-3-12-17-15-8-21(12)18-13/h3-5,8,10H,6-7H2,1-2H3
InChIKeyGUVKFCZCQCKXTG-UHFFFAOYSA-N
XLogP0.38
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920525
6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide
CID 126920452
N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
CID 126919519
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide
CID 134161665
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
CID 126920427
N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920616
N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
CID 126920425
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920523
N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920637
N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide
CID 126922104

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide (CID 126920414) is N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N(C)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is GUVKFCZCQCKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-9-11(5-16-23-9)14(22)19(2)10-6-20(7-10)13-4-3-12-17-15-8-21(12)18-13/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide?
N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 126920414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).