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

C11H18N4O — CID 117151139

IUPAC3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
SMILESCN1CCC(c2nnc3n2CCC(O)C3)C1
InChIInChI=1S/C11H18N4O/c1-14-4-2-8(7-14)11-13-12-10-6-9(16)3-5-15(10)11/h8-9,16H,2-7H2,1H3
InChIKeyNEMXKPBGCUKWQH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.00
Rot. Bonds1

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

3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol (PubChem CID 117151139) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
PubChem CID117151139
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
SMILESCN1CCC(c2nnc3n2CCC(O)C3)C1
InChIInChI=1S/C11H18N4O/c1-14-4-2-8(7-14)11-13-12-10-6-9(16)3-5-15(10)11/h8-9,16H,2-7H2,1H3
InChIKeyNEMXKPBGCUKWQH-UHFFFAOYSA-N
XLogP0.00
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150834
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151697
3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151348
3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148281
3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 73439810
2,2-dimethyl-1-[3-(1-methylpiperidin-3-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]propan-1-one
CID 110260197
3-cyclohexyl-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151812
1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine
CID 83866394
3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151266
3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148328
7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151154
2-[3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanol
CID 110258511

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol (CID 117151139) is 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol is CN1CCC(c2nnc3n2CCC(O)C3)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The InChIKey is NEMXKPBGCUKWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-4-2-8(7-14)11-13-12-10-6-9(16)3-5-15(10)11/h8-9,16H,2-7H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol has a molecular weight of 222.29 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol is sourced from PubChem (CID 117151139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).