4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C19H28N6 — CID 70729924

IUPAC4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H28N6/c1-2-25-18(15-23-11-3-4-12-23)21-22-19(25)16-7-13-24(14-8-16)17-5-9-20-10-6-17/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3
InChIKeyZKDUHEGRKCNXCB-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.67
Rot. Bonds5

About 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 70729924) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID70729924
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H28N6/c1-2-25-18(15-23-11-3-4-12-23)21-22-19(25)16-7-13-24(14-8-16)17-5-9-20-10-6-17/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3
InChIKeyZKDUHEGRKCNXCB-UHFFFAOYSA-N
XLogP2.67
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine with MolForge

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Related Compounds

4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 70768111
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylsulfonylpiperidine
CID 70781308
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(4-methoxyphenyl)methyl]piperidine
CID 72925234
4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95874854
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
CID 70737667
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 70728724
5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72902885
2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10001983
1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72868368
3-methyl-6-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 70767796
4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70759625

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 70729924) is 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is CCn1c(CN2CCCC2)nnc1C1CCN(c2ccncc2)CC1.
What is the InChIKey of 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is ZKDUHEGRKCNXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-2-25-18(15-23-11-3-4-12-23)21-22-19(25)16-7-13-24(14-8-16)17-5-9-20-10-6-17/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3.
What are the key properties of 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 340.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 70729924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).