4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C18H21N9O2 — CID 58508215

IUPAC4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1cn(-c2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)nn2)cn1
InChIInChI=1S/C18H21N9O2/c1-2-15(27-4-3-19-13-27)24-23-14(1)16-20-17(25-5-9-28-10-6-25)22-18(21-16)26-7-11-29-12-8-26/h1-4,13H,5-12H2
InChIKeyBIBMSLFPQSKPRJ-UHFFFAOYSA-N
MW395.43 g/mol
LogP0.19
Rot. Bonds4

About 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 58508215) has the molecular formula C18H21N9O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID58508215
Molecular FormulaC18H21N9O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1cn(-c2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)nn2)cn1
InChIInChI=1S/C18H21N9O2/c1-2-15(27-4-3-19-13-27)24-23-14(1)16-20-17(25-5-9-28-10-6-25)22-18(21-16)26-7-11-29-12-8-26/h1-4,13H,5-12H2
InChIKeyBIBMSLFPQSKPRJ-UHFFFAOYSA-N
XLogP0.19
TPSA107.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

N-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]aniline
CID 67036409
4-[4-(5-fluoro-6-methyl-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507773
4-[6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 146079475
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-[4-morpholin-4-yl-6-(6-piperidin-1-yl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 58508085
4-(3-bromo-4-imidazol-1-ylphenyl)morpholine
CID 172761496
4-[4-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58508286
2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine
CID 122592589
4-imidazol-1-yl-2-piperidin-1-ylpyrimidine
CID 3071752
1-(6-imidazol-1-yl-3-pyridinyl)-N-[(2-morpholin-4-ylphenyl)methyl]methanamine
CID 56824108
8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 167864911

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 58508215) is 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is c1cn(-c2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)nn2)cn1.
What is the InChIKey of 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is BIBMSLFPQSKPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O2/c1-2-15(27-4-3-19-13-27)24-23-14(1)16-20-17(25-5-9-28-10-6-25)22-18(21-16)26-7-11-29-12-8-26/h1-4,13H,5-12H2.
What are the key properties of 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 395.43 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-imidazol-1-ylpyridazin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 58508215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).