3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine

C17H21N5O — CID 155974356

IUPAC3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESCc1cnc(N2CCC(COc3cc4c(nn3)CCC4)C2)nc1
InChIInChI=1S/C17H21N5O/c1-12-8-18-17(19-9-12)22-6-5-13(10-22)11-23-16-7-14-3-2-4-15(14)20-21-16/h7-9,13H,2-6,10-11H2,1H3
InChIKeyBLPQYUOHXUFMQU-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.97
Rot. Bonds4

About 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine

3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine (PubChem CID 155974356) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine
PubChem CID155974356
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESCc1cnc(N2CCC(COc3cc4c(nn3)CCC4)C2)nc1
InChIInChI=1S/C17H21N5O/c1-12-8-18-17(19-9-12)22-6-5-13(10-22)11-23-16-7-14-3-2-4-15(14)20-21-16/h7-9,13H,2-6,10-11H2,1H3
InChIKeyBLPQYUOHXUFMQU-UHFFFAOYSA-N
XLogP1.97
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The IUPAC name of 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine (CID 155974356) is 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine.
What is the SMILES notation for 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The canonical SMILES for 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine is Cc1cnc(N2CCC(COc3cc4c(nn3)CCC4)C2)nc1.
What is the InChIKey of 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The InChIKey is BLPQYUOHXUFMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-8-18-17(19-9-12)22-6-5-13(10-22)11-23-16-7-14-3-2-4-15(14)20-21-16/h7-9,13H,2-6,10-11H2,1H3.
What are the key properties of 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine has a molecular weight of 311.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine is sourced from PubChem (CID 155974356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).