2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol

C12H23N5O — CID 72929405

IUPAC2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCN1CCC(N(C)Cc2ncnn2CCO)CC1
InChIInChI=1S/C12H23N5O/c1-15-5-3-11(4-6-15)16(2)9-12-13-10-14-17(12)7-8-18/h10-11,18H,3-9H2,1-2H3
InChIKeyLKVWROKKHOCNOF-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.20
Rot. Bonds5

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

2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 72929405) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID72929405
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCN1CCC(N(C)Cc2ncnn2CCO)CC1
InChIInChI=1S/C12H23N5O/c1-15-5-3-11(4-6-15)16(2)9-12-13-10-14-17(12)7-8-18/h10-11,18H,3-9H2,1-2H3
InChIKeyLKVWROKKHOCNOF-UHFFFAOYSA-N
XLogP-0.20
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol (CID 72929405) is 2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol is CN1CCC(N(C)Cc2ncnn2CCO)CC1.
What is the InChIKey of 2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is LKVWROKKHOCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-15-5-3-11(4-6-15)16(2)9-12-13-10-14-17(12)7-8-18/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol?
2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 253.35 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72929405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).