[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate

C16H20N4O2 — CID 71912057

IUPAC[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate
SMILESCc1ccc(N2CCCC2COC(=O)c2cccn2C)nn1
InChIInChI=1S/C16H20N4O2/c1-12-7-8-15(18-17-12)20-10-3-5-13(20)11-22-16(21)14-6-4-9-19(14)2/h4,6-9,13H,3,5,10-11H2,1-2H3
InChIKeyRIVHFCICWMRNNW-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.95
Rot. Bonds4

About [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate

[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate (PubChem CID 71912057) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate
PubChem CID71912057
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate
SMILESCc1ccc(N2CCCC2COC(=O)c2cccn2C)nn1
InChIInChI=1S/C16H20N4O2/c1-12-7-8-15(18-17-12)20-10-3-5-13(20)11-22-16(21)14-6-4-9-19(14)2/h4,6-9,13H,3,5,10-11H2,1-2H3
InChIKeyRIVHFCICWMRNNW-UHFFFAOYSA-N
XLogP1.95
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate?
The IUPAC name of [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate (CID 71912057) is [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate is Cc1ccc(N2CCCC2COC(=O)c2cccn2C)nn1.
What is the InChIKey of [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate?
The InChIKey is RIVHFCICWMRNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-7-8-15(18-17-12)20-10-3-5-13(20)11-22-16(21)14-6-4-9-19(14)2/h4,6-9,13H,3,5,10-11H2,1-2H3.
What are the key properties of [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate?
[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 71912057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).