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

C9H16N4 — CID 79605567

IUPAC4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1cnnc1CC1CCNCC1
InChIInChI=1S/C9H16N4/c1-13-7-11-12-9(13)6-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyQGMPFYPCBHTCDE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.36
Rot. Bonds2

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

4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 79605567) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID79605567
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1cnnc1CC1CCNCC1
InChIInChI=1S/C9H16N4/c1-13-7-11-12-9(13)6-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyQGMPFYPCBHTCDE-UHFFFAOYSA-N
XLogP0.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 79605567) is 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine is Cn1cnnc1CC1CCNCC1.
What is the InChIKey of 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is QGMPFYPCBHTCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-7-11-12-9(13)6-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 79605567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).