4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine

C19H19N7O — CID 133281937

IUPAC4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(-c2nnc3ccc(N4CCOC(Cn5cccn5)C4)nn23)cc1
InChIInChI=1S/C19H19N7O/c1-2-5-15(6-3-1)19-22-21-17-7-8-18(23-26(17)19)24-11-12-27-16(13-24)14-25-10-4-9-20-25/h1-10,16H,11-14H2
InChIKeyLKVJWQHWXXZQKS-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.89
Rot. Bonds4

About 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine

4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 133281937) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID133281937
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(-c2nnc3ccc(N4CCOC(Cn5cccn5)C4)nn23)cc1
InChIInChI=1S/C19H19N7O/c1-2-5-15(6-3-1)19-22-21-17-7-8-18(23-26(17)19)24-11-12-27-16(13-24)14-25-10-4-9-20-25/h1-10,16H,11-14H2
InChIKeyLKVJWQHWXXZQKS-UHFFFAOYSA-N
XLogP1.89
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine (CID 133281937) is 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine is c1ccc(-c2nnc3ccc(N4CCOC(Cn5cccn5)C4)nn23)cc1.
What is the InChIKey of 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is LKVJWQHWXXZQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-2-5-15(6-3-1)19-22-21-17-7-8-18(23-26(17)19)24-11-12-27-16(13-24)14-25-10-4-9-20-25/h1-10,16H,11-14H2.
What are the key properties of 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine?
4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 361.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 133281937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).