N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide

C17H21N7O2 — CID 131905863

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)COc1ccc2nncn2n1
InChIInChI=1S/C17H21N7O2/c1-23(9-14-12-5-3-2-4-6-13(12)19-20-14)17(25)10-26-16-8-7-15-21-18-11-24(15)22-16/h7-8,11H,2-6,9-10H2,1H3,(H,19,20)
InChIKeyPNSZAFSQBQFJMA-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.15
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide (PubChem CID 131905863) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
PubChem CID131905863
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)COc1ccc2nncn2n1
InChIInChI=1S/C17H21N7O2/c1-23(9-14-12-5-3-2-4-6-13(12)19-20-14)17(25)10-26-16-8-7-15-21-18-11-24(15)22-16/h7-8,11H,2-6,9-10H2,1H3,(H,19,20)
InChIKeyPNSZAFSQBQFJMA-UHFFFAOYSA-N
XLogP1.15
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide with MolForge

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Related Compounds

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CID 72885761
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CID 91771153
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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide (CID 131905863) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)COc1ccc2nncn2n1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
The InChIKey is PNSZAFSQBQFJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-23(9-14-12-5-3-2-4-6-13(12)19-20-14)17(25)10-26-16-8-7-15-21-18-11-24(15)22-16/h7-8,11H,2-6,9-10H2,1H3,(H,19,20).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide has a molecular weight of 355.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide is sourced from PubChem (CID 131905863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).