methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate

C11H17N3O2 — CID 60792454

IUPACmethyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
SMILESCCCC(C)Nc1ccc(C(=O)OC)nn1
InChIInChI=1S/C11H17N3O2/c1-4-5-8(2)12-10-7-6-9(13-14-10)11(15)16-3/h6-8H,4-5H2,1-3H3,(H,12,14)
InChIKeyLXTCJRITIKFIQK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.86
Rot. Bonds5

About methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate

methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate (PubChem CID 60792454) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
PubChem CID60792454
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
SMILESCCCC(C)Nc1ccc(C(=O)OC)nn1
InChIInChI=1S/C11H17N3O2/c1-4-5-8(2)12-10-7-6-9(13-14-10)11(15)16-3/h6-8H,4-5H2,1-3H3,(H,12,14)
InChIKeyLXTCJRITIKFIQK-UHFFFAOYSA-N
XLogP1.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate
CID 65192484
methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
CID 54960640
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002
methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate
CID 61222218
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
CID 83176505
6-methyl-N-pentan-2-ylpyridazin-3-amine
CID 61313507
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194

Frequently Asked Questions

What is the IUPAC name of methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate (CID 60792454) is methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate is CCCC(C)Nc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate?
The InChIKey is LXTCJRITIKFIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-8(2)12-10-7-6-9(13-14-10)11(15)16-3/h6-8H,4-5H2,1-3H3,(H,12,14).
What are the key properties of methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate?
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 60792454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).