methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate

C11H17N3O2 — CID 134966576

IUPACmethyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate
SMILESCCN(CC)c1nnc(C(=O)OC)cc1C
InChIInChI=1S/C11H17N3O2/c1-5-14(6-2)10-8(3)7-9(12-13-10)11(15)16-4/h7H,5-6H2,1-4H3
InChIKeyQFCYZILTCPUMAU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.42
Rot. Bonds4

About methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate

methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate (PubChem CID 134966576) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate
PubChem CID134966576
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate
SMILESCCN(CC)c1nnc(C(=O)OC)cc1C
InChIInChI=1S/C11H17N3O2/c1-5-14(6-2)10-8(3)7-9(12-13-10)11(15)16-4/h7H,5-6H2,1-4H3
InChIKeyQFCYZILTCPUMAU-UHFFFAOYSA-N
XLogP1.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-ethyl-4-methylpyridine-2-carboxylate
CID 130047128
methyl 2,8-dichloro-4-(diethylamino)pyrido[3,2-d]pyrimidine-6-carboxylate
CID 56957676
methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate
CID 102544682
methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247678
methyl 5-chloropyridazine-3-carboxylate
CID 131699995
methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
CID 15274283
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate
CID 79718546
methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
CID 102808371
methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate
CID 176694239
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
CID 79390088
methyl 6-chloro-5-methoxypyridazine-3-carboxylate
CID 169452804
dimethyl 4-hexylpyridazine-3,6-dicarboxylate
CID 592524

Frequently Asked Questions

What is the IUPAC name of methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate?
The IUPAC name of methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate (CID 134966576) is methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate is CCN(CC)c1nnc(C(=O)OC)cc1C.
What is the InChIKey of methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate?
The InChIKey is QFCYZILTCPUMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-5-14(6-2)10-8(3)7-9(12-13-10)11(15)16-4/h7H,5-6H2,1-4H3.
What are the key properties of methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate?
methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate is sourced from PubChem (CID 134966576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).