2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol

C13H22N4O — CID 117157732

IUPAC2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCCN1CCC(Cc2nc3n(n2)CCCC3O)C1
InChIInChI=1S/C13H22N4O/c1-2-16-7-5-10(9-16)8-12-14-13-11(18)4-3-6-17(13)15-12/h10-11,18H,2-9H2,1H3
InChIKeyRXHMOUJDZUTSQW-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.99
Rot. Bonds3

About 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol

2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 117157732) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID117157732
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCCN1CCC(Cc2nc3n(n2)CCCC3O)C1
InChIInChI=1S/C13H22N4O/c1-2-16-7-5-10(9-16)8-12-14-13-11(18)4-3-6-17(13)15-12/h10-11,18H,2-9H2,1H3
InChIKeyRXHMOUJDZUTSQW-UHFFFAOYSA-N
XLogP0.99
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol with MolForge

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Related Compounds

[2-[(1-ethylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157361
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117157947
2-(thian-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117157959
2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117158186
2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117158156
[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157446
2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136107
2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131432
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115080219
3-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148380
2-(1-aminoethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 83966851
8-methyl-2-(thian-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157749

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 117157732) is 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is CCN1CCC(Cc2nc3n(n2)CCCC3O)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is RXHMOUJDZUTSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-16-7-5-10(9-16)8-12-14-13-11(18)4-3-6-17(13)15-12/h10-11,18H,2-9H2,1H3.
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 250.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 117157732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).