methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate

C11H18N4O2 — CID 65192484

IUPACmethyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate
SMILESCCCC(CN)Nc1ccc(C(=O)OC)nn1
InChIInChI=1S/C11H18N4O2/c1-3-4-8(7-12)13-10-6-5-9(14-15-10)11(16)17-2/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,15)
InChIKeyLEFWZUVKTKFLLL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.80
Rot. Bonds6

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

methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate (PubChem CID 65192484) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate
PubChem CID65192484
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate
SMILESCCCC(CN)Nc1ccc(C(=O)OC)nn1
InChIInChI=1S/C11H18N4O2/c1-3-4-8(7-12)13-10-6-5-9(14-15-10)11(16)17-2/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,15)
InChIKeyLEFWZUVKTKFLLL-UHFFFAOYSA-N
XLogP0.80
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
CID 54960640
6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide
CID 80697257
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002
2-N-(6-chloropyridazin-3-yl)pentane-1,2-diamine
CID 65192529
6-[(4-amino-1-methoxybutan-2-yl)amino]pyridazine-3-carboxamide
CID 106154481
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate
CID 61222218

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate (CID 65192484) is methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate is CCCC(CN)Nc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate?
The InChIKey is LEFWZUVKTKFLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-4-8(7-12)13-10-6-5-9(14-15-10)11(16)17-2/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,15).
What are the key properties of methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate?
methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 65192484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).