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

C9H16N4 — CID 130636516

IUPAC1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCc1nc(CN2CCCCC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-8-10-9(12-11-8)7-13-5-3-2-4-6-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyWSQZSFMIGXGOHT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.10
Rot. Bonds2

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

1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 130636516) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID130636516
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCc1nc(CN2CCCCC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-8-10-9(12-11-8)7-13-5-3-2-4-6-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyWSQZSFMIGXGOHT-UHFFFAOYSA-N
XLogP1.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine (CID 130636516) is 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine is Cc1nc(CN2CCCCC2)n[nH]1.
What is the InChIKey of 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is WSQZSFMIGXGOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8-10-9(12-11-8)7-13-5-3-2-4-6-13/h2-7H2,1H3,(H,10,11,12).
What are the key properties of 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine?
1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 180.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 130636516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).