[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol

C11H20N4O — CID 111103310

IUPAC[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCCn1c(C)nnc1CN1CCCC1CO
InChIInChI=1S/C11H20N4O/c1-3-15-9(2)12-13-11(15)7-14-6-4-5-10(14)8-16/h10,16H,3-8H2,1-2H3
InChIKeyZPXBVSYXMPWCFZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.56
Rot. Bonds4

About [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol

[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 111103310) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID111103310
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCCn1c(C)nnc1CN1CCCC1CO
InChIInChI=1S/C11H20N4O/c1-3-15-9(2)12-13-11(15)7-14-6-4-5-10(14)8-16/h10,16H,3-8H2,1-2H3
InChIKeyZPXBVSYXMPWCFZ-UHFFFAOYSA-N
XLogP0.56
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62016869
N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129344461
1-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 111113969
[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 65417436
4-ethyl-3-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-triazole
CID 97211558
[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 66154354
[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103866930
[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 107052540
(1-ethylazepan-2-yl)methanol
CID 2849413
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
CID 47523985
[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
CID 94145485
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 103885778

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol (CID 111103310) is [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol is CCn1c(C)nnc1CN1CCCC1CO.
What is the InChIKey of [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZPXBVSYXMPWCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-9(2)12-13-11(15)7-14-6-4-5-10(14)8-16/h10,16H,3-8H2,1-2H3.
What are the key properties of [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 224.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111103310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).