(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

C15H21N3O2 — CID 104625783

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C15H21N3O2/c1-3-13-11(6-9(2)16-17-13)15(20)18-7-10-4-5-14(19)12(10)8-18/h6,10,12,14,19H,3-5,7-8H2,1-2H3
InChIKeyPADHFUIJWBCVBH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.19
Rot. Bonds2

About (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone (PubChem CID 104625783) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
PubChem CID104625783
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C15H21N3O2/c1-3-13-11(6-9(2)16-17-13)15(20)18-7-10-4-5-14(19)12(10)8-18/h6,10,12,14,19H,3-5,7-8H2,1-2H3
InChIKeyPADHFUIJWBCVBH-UHFFFAOYSA-N
XLogP1.19
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone (CID 104625783) is (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone is CCc1nnc(C)cc1C(=O)N1CC2CCC(O)C2C1.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The InChIKey is PADHFUIJWBCVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-13-11(6-9(2)16-17-13)15(20)18-7-10-4-5-14(19)12(10)8-18/h6,10,12,14,19H,3-5,7-8H2,1-2H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone is sourced from PubChem (CID 104625783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).