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

C15H17N3O2S — CID 71912060

IUPAC[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate
SMILESCc1ccc(N2CCCC2COC(=O)c2ccsc2)nn1
InChIInChI=1S/C15H17N3O2S/c1-11-4-5-14(17-16-11)18-7-2-3-13(18)9-20-15(19)12-6-8-21-10-12/h4-6,8,10,13H,2-3,7,9H2,1H3
InChIKeyZGPNJTIOUDVIPR-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.67
Rot. Bonds4

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

[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate (PubChem CID 71912060) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate.

Molecular Properties

Compound Name[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate
PubChem CID71912060
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate
SMILESCc1ccc(N2CCCC2COC(=O)c2ccsc2)nn1
InChIInChI=1S/C15H17N3O2S/c1-11-4-5-14(17-16-11)18-7-2-3-13(18)9-20-15(19)12-6-8-21-10-12/h4-6,8,10,13H,2-3,7,9H2,1H3
InChIKeyZGPNJTIOUDVIPR-UHFFFAOYSA-N
XLogP2.67
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate
CID 97071148
[(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-tert-butylpyrazole-4-carboxylate
CID 97071152
[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate
CID 71912057
[(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 2-cyclopropyl-1H-pyrrole-3-carboxylate
CID 100612242
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
2-[1-(6-methylpyridazin-3-yl)piperidin-2-yl]ethanamine
CID 63655181
3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80676121
2-[[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925365
[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-thiophen-3-ylmethanone
CID 97377503
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685

Frequently Asked Questions

What is the IUPAC name of [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate?
The IUPAC name of [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate (CID 71912060) is [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate.
What is the SMILES notation for [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate?
The canonical SMILES for [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate is Cc1ccc(N2CCCC2COC(=O)c2ccsc2)nn1.
What is the InChIKey of [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate?
The InChIKey is ZGPNJTIOUDVIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-4-5-14(17-16-11)18-7-2-3-13(18)9-20-15(19)12-6-8-21-10-12/h4-6,8,10,13H,2-3,7,9H2,1H3.
What are the key properties of [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate?
[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl thiophene-3-carboxylate has a molecular weight of 303.39 g/mol, XLogP of 2.67, 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 thiophene-3-carboxylate is sourced from PubChem (CID 71912060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).