N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide

C18H17N7O — CID 134161665

IUPACN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide
SMILESCN(C(=O)c1ccc2[nH]ccc2c1)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C18H17N7O/c1-23(18(26)13-2-3-15-12(8-13)6-7-19-15)14-9-24(10-14)17-5-4-16-21-20-11-25(16)22-17/h2-8,11,14,19H,9-10H2,1H3
InChIKeyWNGYJWXCISDLGQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.57
Rot. Bonds3

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

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide (PubChem CID 134161665) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide
PubChem CID134161665
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide
SMILESCN(C(=O)c1ccc2[nH]ccc2c1)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C18H17N7O/c1-23(18(26)13-2-3-15-12(8-13)6-7-19-15)14-9-24(10-14)17-5-4-16-21-20-11-25(16)22-17/h2-8,11,14,19H,9-10H2,1H3
InChIKeyWNGYJWXCISDLGQ-UHFFFAOYSA-N
XLogP1.57
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
CID 126920414
N-methyl-N-[4-(methylamino)cyclohexyl]-1H-indole-5-carboxamide
CID 79117939
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide
CID 126920477
3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide
CID 172882805
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-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
CID 126920425
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
1-[3-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-1-yl]ethanone
CID 126920676
5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one
CID 126920697
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide (CID 134161665) is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide is CN(C(=O)c1ccc2[nH]ccc2c1)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide?
The InChIKey is WNGYJWXCISDLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-23(18(26)13-2-3-15-12(8-13)6-7-19-15)14-9-24(10-14)17-5-4-16-21-20-11-25(16)22-17/h2-8,11,14,19H,9-10H2,1H3.
What are the key properties of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide?
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 134161665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).