1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine

C10H17BrN4 — CID 171075940

IUPAC1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine
SMILESCn1nc(Br)nc1N1CCC(C)(C)CC1
InChIInChI=1S/C10H17BrN4/c1-10(2)4-6-15(7-5-10)9-12-8(11)13-14(9)3/h4-7H2,1-3H3
InChIKeyZTOHOKNOXSUUBE-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.20
Rot. Bonds1

About 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine

1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine (PubChem CID 171075940) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine
PubChem CID171075940
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine
SMILESCn1nc(Br)nc1N1CCC(C)(C)CC1
InChIInChI=1S/C10H17BrN4/c1-10(2)4-6-15(7-5-10)9-12-8(11)13-14(9)3/h4-7H2,1-3H3
InChIKeyZTOHOKNOXSUUBE-UHFFFAOYSA-N
XLogP2.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine?
The IUPAC name of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine (CID 171075940) is 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine?
The canonical SMILES for 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine is Cn1nc(Br)nc1N1CCC(C)(C)CC1.
What is the InChIKey of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine?
The InChIKey is ZTOHOKNOXSUUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-10(2)4-6-15(7-5-10)9-12-8(11)13-14(9)3/h4-7H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine?
1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine has a molecular weight of 273.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine is sourced from PubChem (CID 171075940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).