4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine

C17H15BrN4O2 — CID 6402428

IUPAC4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine
SMILESBrc1ccc(-c2nnc(-c3ccco3)nc2N2CCOCC2)cc1
InChIInChI=1S/C17H15BrN4O2/c18-13-5-3-12(4-6-13)15-17(22-7-10-23-11-8-22)19-16(21-20-15)14-2-1-9-24-14/h1-6,9H,7-8,10-11H2
InChIKeyDKTYICNNGILWQT-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.40
Rot. Bonds3

About 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine

4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine (PubChem CID 6402428) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine
PubChem CID6402428
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine
SMILESBrc1ccc(-c2nnc(-c3ccco3)nc2N2CCOCC2)cc1
InChIInChI=1S/C17H15BrN4O2/c18-13-5-3-12(4-6-13)15-17(22-7-10-23-11-8-22)19-16(21-20-15)14-2-1-9-24-14/h1-6,9H,7-8,10-11H2
InChIKeyDKTYICNNGILWQT-UHFFFAOYSA-N
XLogP3.40
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine
CID 6401297
4-[6-(4-fluorophenyl)-3-methyl-1,2,4-triazin-5-yl]morpholine
CID 6405048
4-[4-(furan-2-yl)-2-methoxyphenyl]morpholine
CID 168525030
4-[7-(cyclopropylmethyl)-2-(furan-2-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]morpholine
CID 56897052
2-[2-(furan-2-yl)-4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]acetic acid
CID 56911286
2-(furan-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 37488570
5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine
CID 6404745
4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
CID 3299494
4-[2-(furan-2-yl)-4-methylphenyl]morpholine
CID 168526395
4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 1224171
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine?
The IUPAC name of 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine (CID 6402428) is 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine.
What is the SMILES notation for 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine?
The canonical SMILES for 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine is Brc1ccc(-c2nnc(-c3ccco3)nc2N2CCOCC2)cc1.
What is the InChIKey of 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine?
The InChIKey is DKTYICNNGILWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-13-5-3-12(4-6-13)15-17(22-7-10-23-11-8-22)19-16(21-20-15)14-2-1-9-24-14/h1-6,9H,7-8,10-11H2.
What are the key properties of 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine?
4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine has a molecular weight of 387.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-bromophenyl)-3-(furan-2-yl)-1,2,4-triazin-5-yl]morpholine is sourced from PubChem (CID 6402428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).