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

C9H16N4 — CID 150239726

IUPAC1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1cnc(CN2CCCCC2)n1
InChIInChI=1S/C9H16N4/c1-12-8-10-9(11-12)7-13-5-3-2-4-6-13/h8H,2-7H2,1H3
InChIKeyFXGSQAUAEYITOE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds2

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

1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 150239726) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID150239726
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1cnc(CN2CCCCC2)n1
InChIInChI=1S/C9H16N4/c1-12-8-10-9(11-12)7-13-5-3-2-4-6-13/h8H,2-7H2,1H3
InChIKeyFXGSQAUAEYITOE-UHFFFAOYSA-N
XLogP0.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 150239726) is 1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine is Cn1cnc(CN2CCCCC2)n1.
What is the InChIKey of 1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is FXGSQAUAEYITOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-8-10-9(11-12)7-13-5-3-2-4-6-13/h8H,2-7H2,1H3.
What are the key properties of 1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 150239726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).