4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

C17H24FN7O — CID 72930005

IUPAC4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H24FN7O/c1-23-15(12-24-6-8-26-9-7-24)21-22-16(23)13-2-4-25(5-3-13)17-19-10-14(18)11-20-17/h10-11,13H,2-9,12H2,1H3
InChIKeyBBCNNLDTDWNGSQ-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.96
Rot. Bonds4

About 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 72930005) has the molecular formula C17H24FN7O and a molecular weight of 361.43 g/mol. Its IUPAC name is 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID72930005
Molecular FormulaC17H24FN7O
Molecular Weight361.43 g/mol
Exact Mass361.20
IUPAC Name4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H24FN7O/c1-23-15(12-24-6-8-26-9-7-24)21-22-16(23)13-2-4-25(5-3-13)17-19-10-14(18)11-20-17/h10-11,13H,2-9,12H2,1H3
InChIKeyBBCNNLDTDWNGSQ-UHFFFAOYSA-N
XLogP0.96
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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Related Compounds

1-(4-ethyl-5-{1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70739864
4-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]morpholine
CID 97405772
7-(oxan-4-ylmethyl)-3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 97519135
4-[[8-(5-Fluoropyrimidin-2-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-3-yl]methyl]morpholine
CID 97519780
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
5-fluoro-2-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidine
CID 72846176
2-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95873888
1-[[5-[(3S)-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126448410
4-[(1R,3S)-3-[2-propan-2-yl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1,2,4-triazol-3-yl]cyclopentyl]morpholine
CID 176356173
(2S)-2-methyl-4-[(1S,3R)-3-[2-propan-2-yl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1,2,4-triazol-3-yl]cyclopentyl]morpholine
CID 176356176
(2R)-2-methyl-4-[(1R,3R)-3-[2-propan-2-yl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1,2,4-triazol-3-yl]cyclopentyl]morpholine
CID 176356184
(2R)-2-methyl-4-[(1S,3S)-3-[2-propan-2-yl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1,2,4-triazol-3-yl]cyclopentyl]morpholine
CID 176356230

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 72930005) is 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is BBCNNLDTDWNGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN7O/c1-23-15(12-24-6-8-26-9-7-24)21-22-16(23)13-2-4-25(5-3-13)17-19-10-14(18)11-20-17/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 361.43 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 72930005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).