methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate

C13H20N4O2 — CID 61222218

IUPACmethyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)CN2CCCC2)nn1
InChIInChI=1S/C13H20N4O2/c1-10(9-17-7-3-4-8-17)14-12-6-5-11(15-16-12)13(18)19-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeySQBNCVBPTZGEHS-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.16
Rot. Bonds5

About methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate

methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate (PubChem CID 61222218) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate
PubChem CID61222218
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)CN2CCCC2)nn1
InChIInChI=1S/C13H20N4O2/c1-10(9-17-7-3-4-8-17)14-12-6-5-11(15-16-12)13(18)19-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeySQBNCVBPTZGEHS-UHFFFAOYSA-N
XLogP1.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate
CID 60968158
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
6-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 61474335
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
CID 54960640
2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
5-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61474336
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate
CID 65192484
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002
6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
CID 83176505
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate (CID 61222218) is methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate is COC(=O)c1ccc(NC(C)CN2CCCC2)nn1.
What is the InChIKey of methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate?
The InChIKey is SQBNCVBPTZGEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(9-17-7-3-4-8-17)14-12-6-5-11(15-16-12)13(18)19-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16).
What are the key properties of methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate?
methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 61222218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).