4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine

C17H17N5O — CID 123186348

IUPAC4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine
SMILESc1cc(-c2cnncc2-c2ncc[nH]2)cc(N2CCOCC2)c1
InChIInChI=1S/C17H17N5O/c1-2-13(10-14(3-1)22-6-8-23-9-7-22)15-11-20-21-12-16(15)17-18-4-5-19-17/h1-5,10-12H,6-9H2,(H,18,19)
InChIKeyHUGUUPNWXTTXOK-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.37
Rot. Bonds3

About 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine

4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine (PubChem CID 123186348) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine
PubChem CID123186348
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine
SMILESc1cc(-c2cnncc2-c2ncc[nH]2)cc(N2CCOCC2)c1
InChIInChI=1S/C17H17N5O/c1-2-13(10-14(3-1)22-6-8-23-9-7-22)15-11-20-21-12-16(15)17-18-4-5-19-17/h1-5,10-12H,6-9H2,(H,18,19)
InChIKeyHUGUUPNWXTTXOK-UHFFFAOYSA-N
XLogP2.37
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline
CID 141100285
4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine
CID 174954030
N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 172590955
4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine
CID 56722426
13-(3-cyclopenta-1,2,4-trien-1-ylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 177489156
2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 141442695
4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine
CID 103597251
[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid
CID 67451819
4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine
CID 44627580
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
2-(3-pyrrolidin-1-ylphenyl)pyrimidine
CID 168513243

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine?
The IUPAC name of 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine (CID 123186348) is 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine is c1cc(-c2cnncc2-c2ncc[nH]2)cc(N2CCOCC2)c1.
What is the InChIKey of 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine?
The InChIKey is HUGUUPNWXTTXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-13(10-14(3-1)22-6-8-23-9-7-22)15-11-20-21-12-16(15)17-18-4-5-19-17/h1-5,10-12H,6-9H2,(H,18,19).
What are the key properties of 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine?
4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine has a molecular weight of 307.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine is sourced from PubChem (CID 123186348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).