3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C17H22ClN5O — CID 155799862

IUPAC3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESClc1cnccc1OCC1CCN(Cc2nnc3n2CCC3)CC1
InChIInChI=1S/C17H22ClN5O/c18-14-10-19-6-3-15(14)24-12-13-4-8-22(9-5-13)11-17-21-20-16-2-1-7-23(16)17/h3,6,10,13H,1-2,4-5,7-9,11-12H2
InChIKeyZGSUDSFBVUUAIH-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.56
Rot. Bonds5

About 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 155799862) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID155799862
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESClc1cnccc1OCC1CCN(Cc2nnc3n2CCC3)CC1
InChIInChI=1S/C17H22ClN5O/c18-14-10-19-6-3-15(14)24-12-13-4-8-22(9-5-13)11-17-21-20-16-2-1-7-23(16)17/h3,6,10,13H,1-2,4-5,7-9,11-12H2
InChIKeyZGSUDSFBVUUAIH-UHFFFAOYSA-N
XLogP2.56
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole with MolForge

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Related Compounds

4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602593
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 163357321
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-ethylpyrimidine
CID 154829545
5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
CID 154829675
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076242
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-cyclopropylpyrimidine
CID 154829517
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154830114
3-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 167772878
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 154829498

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 155799862) is 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Clc1cnccc1OCC1CCN(Cc2nnc3n2CCC3)CC1.
What is the InChIKey of 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is ZGSUDSFBVUUAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c18-14-10-19-6-3-15(14)24-12-13-4-8-22(9-5-13)11-17-21-20-16-2-1-7-23(16)17/h3,6,10,13H,1-2,4-5,7-9,11-12H2.
What are the key properties of 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 347.85 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 155799862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).