4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine

C13H20N6 — CID 136543361

IUPAC4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine
SMILESCc1cc(C2CCN(Cc3cnnn3C)CC2)n[nH]1
InChIInChI=1S/C13H20N6/c1-10-7-13(16-15-10)11-3-5-19(6-4-11)9-12-8-14-17-18(12)2/h7-8,11H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyVWVPVDJSUQDCPK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.23
Rot. Bonds3

About 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine

4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine (PubChem CID 136543361) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine
PubChem CID136543361
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine
SMILESCc1cc(C2CCN(Cc3cnnn3C)CC2)n[nH]1
InChIInChI=1S/C13H20N6/c1-10-7-13(16-15-10)11-3-5-19(6-4-11)9-12-8-14-17-18(12)2/h7-8,11H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyVWVPVDJSUQDCPK-UHFFFAOYSA-N
XLogP1.23
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine (CID 136543361) is 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine is Cc1cc(C2CCN(Cc3cnnn3C)CC2)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine?
The InChIKey is VWVPVDJSUQDCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-7-13(16-15-10)11-3-5-19(6-4-11)9-12-8-14-17-18(12)2/h7-8,11H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine?
4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine has a molecular weight of 260.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-pyrazol-3-yl)-1-[(3-methyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 136543361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).