N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H20N8 — CID 133281716

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nc2n(n1)CC(Nc1ccc3nnc(-c4ccccc4)n3n1)CC2
InChIInChI=1S/C19H20N8/c1-2-15-21-17-10-8-14(12-26(17)24-15)20-16-9-11-18-22-23-19(27(18)25-16)13-6-4-3-5-7-13/h3-7,9,11,14H,2,8,10,12H2,1H3,(H,20,25)
InChIKeyONGHXTZBLAPNFO-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.37
Rot. Bonds4

About N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133281716) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133281716
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nc2n(n1)CC(Nc1ccc3nnc(-c4ccccc4)n3n1)CC2
InChIInChI=1S/C19H20N8/c1-2-15-21-17-10-8-14(12-26(17)24-15)20-16-9-11-18-22-23-19(27(18)25-16)13-6-4-3-5-7-13/h3-7,9,11,14H,2,8,10,12H2,1H3,(H,20,25)
InChIKeyONGHXTZBLAPNFO-UHFFFAOYSA-N
XLogP2.37
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294975
methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate
CID 133281658
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 133281755
3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine
CID 133437607
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[2,3-b]pyrazin-6-amine
CID 133281727
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133330151
2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119135625
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
(1S)-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-phenylethanol
CID 95607448
N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide
CID 133281669
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340139
1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 166246025

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133281716) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nc2n(n1)CC(Nc1ccc3nnc(-c4ccccc4)n3n1)CC2.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ONGHXTZBLAPNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-2-15-21-17-10-8-14(12-26(17)24-15)20-16-9-11-18-22-23-19(27(18)25-16)13-6-4-3-5-7-13/h3-7,9,11,14H,2,8,10,12H2,1H3,(H,20,25).
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 360.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133281716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).