6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

C19H23N5O — CID 126927419

IUPAC6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CN(Cc2cnc(C3CC3)nc2)C1
InChIInChI=1S/C19H23N5O/c25-18-6-5-17(15-1-2-15)22-24(18)12-14-10-23(11-14)9-13-7-20-19(21-8-13)16-3-4-16/h5-8,14-16H,1-4,9-12H2
InChIKeyNFOWCHDARDAIJN-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.92
Rot. Bonds6

About 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927419) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927419
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CN(Cc2cnc(C3CC3)nc2)C1
InChIInChI=1S/C19H23N5O/c25-18-6-5-17(15-1-2-15)22-24(18)12-14-10-23(11-14)9-13-7-20-19(21-8-13)16-3-4-16/h5-8,14-16H,1-4,9-12H2
InChIKeyNFOWCHDARDAIJN-UHFFFAOYSA-N
XLogP1.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927419) is 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CN(Cc2cnc(C3CC3)nc2)C1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is NFOWCHDARDAIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-18-6-5-17(15-1-2-15)22-24(18)12-14-10-23(11-14)9-13-7-20-19(21-8-13)16-3-4-16/h5-8,14-16H,1-4,9-12H2.
What are the key properties of 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 337.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).