methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate

C14H18N6O2 — CID 133281658

IUPACmethyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate
SMILESCCc1nc2n(n1)CC(Nc1ccc(C(=O)OC)nn1)CC2
InChIInChI=1S/C14H18N6O2/c1-3-11-16-13-7-4-9(8-20(13)19-11)15-12-6-5-10(17-18-12)14(21)22-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyJFLXSCNOQALSMF-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.84
Rot. Bonds4

About methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate

methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate (PubChem CID 133281658) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate
PubChem CID133281658
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Namemethyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate
SMILESCCc1nc2n(n1)CC(Nc1ccc(C(=O)OC)nn1)CC2
InChIInChI=1S/C14H18N6O2/c1-3-11-16-13-7-4-9(8-20(13)19-11)15-12-6-5-10(17-18-12)14(21)22-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyJFLXSCNOQALSMF-UHFFFAOYSA-N
XLogP0.84
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
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
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
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
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
CID 122054319
2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide
CID 120989967
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]methyl]benzoic acid
CID 122002366
methyl 6-[(3,3-dimethylcyclopentyl)amino]pyridazine-3-carboxylate
CID 115881025
N-(4-bromo-2-nitrophenyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281746
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

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of 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) is methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate is CCc1nc2n(n1)CC(Nc1ccc(C(=O)OC)nn1)CC2.
What is the InChIKey of methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate?
The InChIKey is JFLXSCNOQALSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-3-11-16-13-7-4-9(8-20(13)19-11)15-12-6-5-10(17-18-12)14(21)22-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18).
What are the key properties of methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate?
methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate has a molecular weight of 302.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 133281658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).