2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

C14H22N6 — CID 56780376

IUPAC2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESCc1cnn(CC2CCCCN2CCn2cncn2)c1
InChIInChI=1S/C14H22N6/c1-13-8-16-20(9-13)10-14-4-2-3-5-18(14)6-7-19-12-15-11-17-19/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyKTVFYKYMUJUXQA-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.34
Rot. Bonds5

About 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (PubChem CID 56780376) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
PubChem CID56780376
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESCc1cnn(CC2CCCCN2CCn2cncn2)c1
InChIInChI=1S/C14H22N6/c1-13-8-16-20(9-13)10-14-4-2-3-5-18(14)6-7-19-12-15-11-17-19/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyKTVFYKYMUJUXQA-UHFFFAOYSA-N
XLogP1.34
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (CID 56780376) is 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The canonical SMILES for 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is Cc1cnn(CC2CCCCN2CCn2cncn2)c1.
What is the InChIKey of 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The InChIKey is KTVFYKYMUJUXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-13-8-16-20(9-13)10-14-4-2-3-5-18(14)6-7-19-12-15-11-17-19/h8-9,11-12,14H,2-7,10H2,1H3.
What are the key properties of 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine has a molecular weight of 274.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 56780376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).