5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine

C9H14N4 — CID 19612494

IUPAC5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCc1nc(C2=CCCNC2)nn1C
InChIInChI=1S/C9H14N4/c1-7-11-9(12-13(7)2)8-4-3-5-10-6-8/h4,10H,3,5-6H2,1-2H3
InChIKeyVSIDVMCKERFTLA-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.50
Rot. Bonds1

About 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine

5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 19612494) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID19612494
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCc1nc(C2=CCCNC2)nn1C
InChIInChI=1S/C9H14N4/c1-7-11-9(12-13(7)2)8-4-3-5-10-6-8/h4,10H,3,5-6H2,1-2H3
InChIKeyVSIDVMCKERFTLA-UHFFFAOYSA-N
XLogP0.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine (CID 19612494) is 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine is Cc1nc(C2=CCCNC2)nn1C.
What is the InChIKey of 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is VSIDVMCKERFTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-11-9(12-13(7)2)8-4-3-5-10-6-8/h4,10H,3,5-6H2,1-2H3.
What are the key properties of 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine?
5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 178.24 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 19612494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).