1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine

C16H29N5 — CID 71869591

IUPAC1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine
SMILESCCn1c(C)nnc1CN1CCC(CN2CCCCC2)C1
InChIInChI=1S/C16H29N5/c1-3-21-14(2)17-18-16(21)13-20-10-7-15(12-20)11-19-8-5-4-6-9-19/h15H,3-13H2,1-2H3
InChIKeyAIIUMBZFKYBXPU-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.91
Rot. Bonds5

About 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine

1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine (PubChem CID 71869591) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine
PubChem CID71869591
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine
SMILESCCn1c(C)nnc1CN1CCC(CN2CCCCC2)C1
InChIInChI=1S/C16H29N5/c1-3-21-14(2)17-18-16(21)13-20-10-7-15(12-20)11-19-8-5-4-6-9-19/h15H,3-13H2,1-2H3
InChIKeyAIIUMBZFKYBXPU-UHFFFAOYSA-N
XLogP1.91
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine with MolForge

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Related Compounds

4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-ethylpiperidine
CID 70716296
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 70720739
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isopropylpiperidine
CID 70763733
(2-{4-[4-cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1,1-dimethylethyl)amine dihydrochloride
CID 70782280
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 70786737
1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71928247
1-({5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-methylpiperazine
CID 72876363
1-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 75453966
8-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 56711732
2-cyclopentyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 71999747
1-[2-(1-butyl-3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylpiperazine
CID 72860700

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine (CID 71869591) is 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine is CCn1c(C)nnc1CN1CCC(CN2CCCCC2)C1.
What is the InChIKey of 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine?
The InChIKey is AIIUMBZFKYBXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-21-14(2)17-18-16(21)13-20-10-7-15(12-20)11-19-8-5-4-6-9-19/h15H,3-13H2,1-2H3.
What are the key properties of 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine?
1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine has a molecular weight of 291.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 71869591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).