3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C13H22N4O — CID 107078221

IUPAC3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCNCC1OCc1nnc2n1CCCC2
InChIInChI=1S/C13H22N4O/c1-10-5-6-14-8-11(10)18-9-13-16-15-12-4-2-3-7-17(12)13/h10-11,14H,2-9H2,1H3
InChIKeyAECMSCBPKWGQEX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.13
Rot. Bonds3

About 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 107078221) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID107078221
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCNCC1OCc1nnc2n1CCCC2
InChIInChI=1S/C13H22N4O/c1-10-5-6-14-8-11(10)18-9-13-16-15-12-4-2-3-7-17(12)13/h10-11,14H,2-9H2,1H3
InChIKeyAECMSCBPKWGQEX-UHFFFAOYSA-N
XLogP1.13
TPSA51.97 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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

4-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 106939218
3-(2-piperidin-4-ylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 62215549
7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81252552
2-methyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,3,4-oxadiazole
CID 102954373
3-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057789
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
3-(4-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057348
N-methoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 82654891
3-methyl-5-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954306
[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxymethyl)cyclohexyl]methanamine
CID 107078207
(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)propanoic acid
CID 107076457
2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)acetic acid
CID 62875346

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 107078221) is 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCNCC1OCc1nnc2n1CCCC2.
What is the InChIKey of 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AECMSCBPKWGQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-5-6-14-8-11(10)18-9-13-16-15-12-4-2-3-7-17(12)13/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 250.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-3-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 107078221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).