[4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol

C18H28N6O — CID 50966597

IUPAC[4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)c1nccc(CN2CCC(Cc3nnc(CO)n3C)CC2)n1
InChIInChI=1S/C18H28N6O/c1-13(2)18-19-7-4-15(20-18)11-24-8-5-14(6-9-24)10-16-21-22-17(12-25)23(16)3/h4,7,13-14,25H,5-6,8-12H2,1-3H3
InChIKeyRJMKWUPQLVVBTE-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.68
Rot. Bonds6

About [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol

[4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 50966597) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID50966597
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name[4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)c1nccc(CN2CCC(Cc3nnc(CO)n3C)CC2)n1
InChIInChI=1S/C18H28N6O/c1-13(2)18-19-7-4-15(20-18)11-24-8-5-14(6-9-24)10-16-21-22-17(12-25)23(16)3/h4,7,13-14,25H,5-6,8-12H2,1-3H3
InChIKeyRJMKWUPQLVVBTE-UHFFFAOYSA-N
XLogP1.68
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

N-[[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95209422
2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95202302
[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 91834200
[4-methyl-5-[[1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
CID 50953438
N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide
CID 131900167
(4aS,8aR)-1-(3-hydroxypropyl)-6-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70709080
5-methyl-5-[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 56713229
2-methyl-8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56915746
4-(cyclopropylmethyl)-3-propan-2-yl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-diazepan-5-one
CID 56870343
2-phenyl-1-[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]ethanone
CID 95896053
2-ethyl-4-[[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyrimidine
CID 72882624
4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 118765711

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol (CID 50966597) is [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol is CC(C)c1nccc(CN2CCC(Cc3nnc(CO)n3C)CC2)n1.
What is the InChIKey of [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is RJMKWUPQLVVBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)18-19-7-4-15(20-18)11-24-8-5-14(6-9-24)10-16-21-22-17(12-25)23(16)3/h4,7,13-14,25H,5-6,8-12H2,1-3H3.
What are the key properties of [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 344.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 50966597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).