N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine

C21H25N7 — CID 176501665

IUPACN-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
SMILESCc1cc(NC2C3CN4CCN(C3)CC2(c2ccccc2)C4)c2nncn2n1
InChIInChI=1S/C21H25N7/c1-15-9-18(20-24-22-14-28(20)25-15)23-19-16-10-26-7-8-27(11-16)13-21(19,12-26)17-5-3-2-4-6-17/h2-6,9,14,16,19,23H,7-8,10-13H2,1H3
InChIKeyFDVDVJTXEDQZKO-UHFFFAOYSA-N
MW375.48 g/mol
LogP1.41
Rot. Bonds3

About N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine

N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine (PubChem CID 176501665) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine.

Molecular Properties

Compound NameN-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
PubChem CID176501665
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
SMILESCc1cc(NC2C3CN4CCN(C3)CC2(c2ccccc2)C4)c2nncn2n1
InChIInChI=1S/C21H25N7/c1-15-9-18(20-24-22-14-28(20)25-15)23-19-16-10-26-7-8-27(11-16)13-21(19,12-26)17-5-3-2-4-6-17/h2-6,9,14,16,19,23H,7-8,10-13H2,1H3
InChIKeyFDVDVJTXEDQZKO-UHFFFAOYSA-N
XLogP1.41
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine with MolForge

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506855
5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1,2-oxazole-3-carboxamide
CID 131900579
1-(difluoromethyl)-5-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)pyrazole-3-carboxamide
CID 156584364
4-chloro-1,3-dimethyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)pyrazole-5-carboxamide
CID 131940808
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506217
N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-4-ylacetamide
CID 131946986
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131897357
4-[[(9R)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]amino]pyrimidine-5-carboxylic acid
CID 98842200
N-[2-[[(9S)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]carbamoylamino]ethyl]acetamide
CID 126433835
N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide
CID 131895417
3-(2-methylimidazol-1-yl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
CID 131936378
1-(2-ethylpyrazol-3-yl)-3-[(9S)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]urea
CID 97434335

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The IUPAC name of N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine (CID 176501665) is N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine.
What is the SMILES notation for N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The canonical SMILES for N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine is Cc1cc(NC2C3CN4CCN(C3)CC2(c2ccccc2)C4)c2nncn2n1.
What is the InChIKey of N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The InChIKey is FDVDVJTXEDQZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-15-9-18(20-24-22-14-28(20)25-15)23-19-16-10-26-7-8-27(11-16)13-21(19,12-26)17-5-3-2-4-6-17/h2-6,9,14,16,19,23H,7-8,10-13H2,1H3.
What are the key properties of N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine has a molecular weight of 375.48 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine is sourced from PubChem (CID 176501665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).