methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate

C12H18N4O2 — CID 93454058

IUPACmethyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N[C@@H]2CCCC[C@H]2N)nn1
InChIInChI=1S/C12H18N4O2/c1-18-12(17)10-6-7-11(16-15-10)14-9-5-3-2-4-8(9)13/h6-9H,2-5,13H2,1H3,(H,14,16)/t8-,9-/m1/s1
InChIKeyMZVAWJPROZKTTK-RKDXNWHRSA-N
MW250.30 g/mol
LogP0.94
Rot. Bonds3

About methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate

methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate (PubChem CID 93454058) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
PubChem CID93454058
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N[C@@H]2CCCC[C@H]2N)nn1
InChIInChI=1S/C12H18N4O2/c1-18-12(17)10-6-7-11(16-15-10)14-9-5-3-2-4-8(9)13/h6-9H,2-5,13H2,1H3,(H,14,16)/t8-,9-/m1/s1
InChIKeyMZVAWJPROZKTTK-RKDXNWHRSA-N
XLogP0.94
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
CID 133353653
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
CID 79363165
methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate
CID 113395497
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687
6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide
CID 103715276
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
CID 99848252
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate (CID 93454058) is methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(N[C@@H]2CCCC[C@H]2N)nn1.
What is the InChIKey of methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate?
The InChIKey is MZVAWJPROZKTTK-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-12(17)10-6-7-11(16-15-10)14-9-5-3-2-4-8(9)13/h6-9H,2-5,13H2,1H3,(H,14,16)/t8-,9-/m1/s1.
What are the key properties of methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate?
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 93454058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).