[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol

C11H20N4O — CID 66060230

IUPAC[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCCn1ncnc1CC1(CO)CCCNC1
InChIInChI=1S/C11H20N4O/c1-2-15-10(13-9-14-15)6-11(8-16)4-3-5-12-7-11/h9,12,16H,2-8H2,1H3
InChIKeyROTCNIZPCYRXAU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.20
Rot. Bonds4

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

[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol (PubChem CID 66060230) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol
PubChem CID66060230
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCCn1ncnc1CC1(CO)CCCNC1
InChIInChI=1S/C11H20N4O/c1-2-15-10(13-9-14-15)6-11(8-16)4-3-5-12-7-11/h9,12,16H,2-8H2,1H3
InChIKeyROTCNIZPCYRXAU-UHFFFAOYSA-N
XLogP0.20
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66058530
[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025427
1-ethyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
CID 79451834
3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
CID 107385628
1-ethyl-5-[(3-methylazetidin-3-yl)methyl]-1,2,4-triazole
CID 79451521
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 56750221
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025203
N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024457
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058384
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
[3-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
CID 146121139
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580542

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol (CID 66060230) is [3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol is CCn1ncnc1CC1(CO)CCCNC1.
What is the InChIKey of [3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is ROTCNIZPCYRXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-15-10(13-9-14-15)6-11(8-16)4-3-5-12-7-11/h9,12,16H,2-8H2,1H3.
What are the key properties of [3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol?
[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 224.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 66060230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).