2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine

C16H21N7O — CID 75201285

IUPAC2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(OCc3nc(N4CCCC4)nn3C)nn2c1C
InChIInChI=1S/C16H21N7O/c1-11-12(2)23-13(17-11)6-7-15(19-23)24-10-14-18-16(20-21(14)3)22-8-4-5-9-22/h6-7H,4-5,8-10H2,1-3H3
InChIKeyGOQIDTLLTPZUSB-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.65
Rot. Bonds4

About 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine

2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine (PubChem CID 75201285) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine
PubChem CID75201285
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(OCc3nc(N4CCCC4)nn3C)nn2c1C
InChIInChI=1S/C16H21N7O/c1-11-12(2)23-13(17-11)6-7-15(19-23)24-10-14-18-16(20-21(14)3)22-8-4-5-9-22/h6-7H,4-5,8-10H2,1-3H3
InChIKeyGOQIDTLLTPZUSB-UHFFFAOYSA-N
XLogP1.65
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine (CID 75201285) is 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine is Cc1nc2ccc(OCc3nc(N4CCCC4)nn3C)nn2c1C.
What is the InChIKey of 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is GOQIDTLLTPZUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-11-12(2)23-13(17-11)6-7-15(19-23)24-10-14-18-16(20-21(14)3)22-8-4-5-9-22/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine?
2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 327.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 75201285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).