2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol

C18H28N6O — CID 70774901

IUPAC2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol
SMILESCc1cc(N2CCC(c3nnc(CN(C)CCO)n3C)CC2)ccn1
InChIInChI=1S/C18H28N6O/c1-14-12-16(4-7-19-14)24-8-5-15(6-9-24)18-21-20-17(23(18)3)13-22(2)10-11-25/h4,7,12,15,25H,5-6,8-11,13H2,1-3H3
InChIKeySKPYECPEOBIDAZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.33
Rot. Bonds6

About 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol

2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol (PubChem CID 70774901) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol
PubChem CID70774901
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol
SMILESCc1cc(N2CCC(c3nnc(CN(C)CCO)n3C)CC2)ccn1
InChIInChI=1S/C18H28N6O/c1-14-12-16(4-7-19-14)24-8-5-15(6-9-24)18-21-20-17(23(18)3)13-22(2)10-11-25/h4,7,12,15,25H,5-6,8-11,13H2,1-3H3
InChIKeySKPYECPEOBIDAZ-UHFFFAOYSA-N
XLogP1.33
TPSA70.31 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol with MolForge

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Related Compounds

2-[4-(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11278622
2-(3-pyridin-4-yl-4H-1,2,4-triazol-4-yl)butan-1-ol
CID 3235743
4-(4-Phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)morpholine
CID 2324392
2-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-piperidin-1-yl-methyl}-pyridine
CID 3229114
4-[2-[3-[4-(3-Fluorophenyl)-2-pyridinyl]-5-methyl-1,2,4-triazol-4-yl]ethyl]morpholine
CID 134809498
2-[2-Hydroxyethyl-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
CID 12764720
4-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyridin-2-yl-methyl}-morpholine
CID 649075
1-[4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-pyrimidinyl]-4-piperidinol
CID 29185131
1-[5-Methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol
CID 45248743
4-[1-pyridin-2-yl-2-(4H-1,2,4-triazol-4-yl)ethyl]morpholine
CID 50968675
2-{2-[3-isopropyl-1-(3-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine
CID 50980944
3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 53530276

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol (CID 70774901) is 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol is Cc1cc(N2CCC(c3nnc(CN(C)CCO)n3C)CC2)ccn1.
What is the InChIKey of 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol?
The InChIKey is SKPYECPEOBIDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-14-12-16(4-7-19-14)24-8-5-15(6-9-24)18-21-20-17(23(18)3)13-22(2)10-11-25/h4,7,12,15,25H,5-6,8-11,13H2,1-3H3.
What are the key properties of 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol?
2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol has a molecular weight of 344.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 70774901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).