2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol

C13H19N5O — CID 129433337

IUPAC2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCc1nc2ccc(N3CCC[C@H]3C(C)(C)O)nn2n1
InChIInChI=1S/C13H19N5O/c1-9-14-11-6-7-12(16-18(11)15-9)17-8-4-5-10(17)13(2,3)19/h6-7,10,19H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyMIOWIPFYWKHUCH-JTQLQIEISA-N
MW261.33 g/mol
LogP1.17
Rot. Bonds2

About 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 129433337) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID129433337
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCc1nc2ccc(N3CCC[C@H]3C(C)(C)O)nn2n1
InChIInChI=1S/C13H19N5O/c1-9-14-11-6-7-12(16-18(11)15-9)17-8-4-5-10(17)13(2,3)19/h6-7,10,19H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyMIOWIPFYWKHUCH-JTQLQIEISA-N
XLogP1.17
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol (CID 129433337) is 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol is Cc1nc2ccc(N3CCC[C@H]3C(C)(C)O)nn2n1.
What is the InChIKey of 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is MIOWIPFYWKHUCH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-14-11-6-7-12(16-18(11)15-9)17-8-4-5-10(17)13(2,3)19/h6-7,10,19H,4-5,8H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 261.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 129433337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).