1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

C17H27N7 — CID 72912378

IUPAC1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(Cn2cncn2)nnc1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H27N7/c1-2-24-16(11-23-13-18-12-19-23)20-21-17(24)14-7-9-22(10-8-14)15-5-3-4-6-15/h12-15H,2-11H2,1H3
InChIKeyPMPKFPAQJRVUNW-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.06
Rot. Bonds5

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

1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 72912378) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID72912378
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(Cn2cncn2)nnc1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H27N7/c1-2-24-16(11-23-13-18-12-19-23)20-21-17(24)14-7-9-22(10-8-14)15-5-3-4-6-15/h12-15H,2-11H2,1H3
InChIKeyPMPKFPAQJRVUNW-UHFFFAOYSA-N
XLogP2.06
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 72912378) is 1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is CCn1c(Cn2cncn2)nnc1C1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is PMPKFPAQJRVUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-2-24-16(11-23-13-18-12-19-23)20-21-17(24)14-7-9-22(10-8-14)15-5-3-4-6-15/h12-15H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 329.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72912378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).