methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate

C15H15N3O2 — CID 95324954

IUPACmethyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N[C@@H]2CCc3ccccc32)nn1
InChIInChI=1S/C15H15N3O2/c1-20-15(19)13-8-9-14(18-17-13)16-12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12H,6-7H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyQAJICMPZZQFETG-GFCCVEGCSA-N
MW269.30 g/mol
LogP2.36
Rot. Bonds3

About methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate

methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate (PubChem CID 95324954) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate
PubChem CID95324954
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namemethyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N[C@@H]2CCc3ccccc32)nn1
InChIInChI=1S/C15H15N3O2/c1-20-15(19)13-8-9-14(18-17-13)16-12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12H,6-7H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyQAJICMPZZQFETG-GFCCVEGCSA-N
XLogP2.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate with MolForge

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Related Compounds

methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
CID 62064686
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 133488083
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate
CID 43679244
methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate
CID 133296390
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
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
5-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine
CID 169260360
N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine
CID 46207514
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate (CID 95324954) is methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(N[C@@H]2CCc3ccccc32)nn1.
What is the InChIKey of methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate?
The InChIKey is QAJICMPZZQFETG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-15(19)13-8-9-14(18-17-13)16-12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12H,6-7H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate?
methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 95324954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).