[2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol

C11H20N4O — CID 154735455

IUPAC[2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCCC1(CO)CCCN1Cc1cnnn1C
InChIInChI=1S/C11H20N4O/c1-3-11(9-16)5-4-6-15(11)8-10-7-12-13-14(10)2/h7,16H,3-6,8-9H2,1-2H3
InChIKeyOGQBASUBGFOKDS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.55
Rot. Bonds4

About [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol

[2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 154735455) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID154735455
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCCC1(CO)CCCN1Cc1cnnn1C
InChIInChI=1S/C11H20N4O/c1-3-11(9-16)5-4-6-15(11)8-10-7-12-13-14(10)2/h7,16H,3-6,8-9H2,1-2H3
InChIKeyOGQBASUBGFOKDS-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 154735455) is [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol is CCC1(CO)CCCN1Cc1cnnn1C.
What is the InChIKey of [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is OGQBASUBGFOKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-11(9-16)5-4-6-15(11)8-10-7-12-13-14(10)2/h7,16H,3-6,8-9H2,1-2H3.
What are the key properties of [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
[2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 224.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 154735455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).