5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol

C11H21N5O — CID 114223161

IUPAC5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol
SMILESCCn1nncc1N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H21N5O/c1-4-16-11(6-12-13-16)15-8-10(17)5-9(15)7-14(2)3/h6,9-10,17H,4-5,7-8H2,1-3H3
InChIKeyGILHLINDCBORPG-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.20
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 114223161) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol
PubChem CID114223161
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol
SMILESCCn1nncc1N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H21N5O/c1-4-16-11(6-12-13-16)15-8-10(17)5-9(15)7-14(2)3/h6,9-10,17H,4-5,7-8H2,1-3H3
InChIKeyGILHLINDCBORPG-UHFFFAOYSA-N
XLogP-0.20
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol
CID 66053958
5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 66052213
1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051832
1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 103518270
5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol
CID 66054145
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056389
5-[(dimethylamino)methyl]-1-[2-(1-hydroxypropyl)phenyl]pyrrolidin-3-ol
CID 115996022
5-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrazine-2-carbothioamide
CID 66056057
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 66057235
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77111637
5-[(dimethylamino)methyl]-1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidin-3-ol
CID 80855954

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol (CID 114223161) is 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol is CCn1nncc1N1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is GILHLINDCBORPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-16-11(6-12-13-16)15-8-10(17)5-9(15)7-14(2)3/h6,9-10,17H,4-5,7-8H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 239.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(3-ethyltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 114223161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).