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

C9H15BrN4 — CID 171075648

IUPAC(2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1c1nc(Br)nn1C
InChIInChI=1S/C9H15BrN4/c1-7-5-3-4-6-14(7)9-11-8(10)12-13(9)2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyKWEDSGZWGNSAKA-SSDOTTSWSA-N
MW259.15 g/mol
LogP1.96
Rot. Bonds1

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

(2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine (PubChem CID 171075648) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is (2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine
PubChem CID171075648
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name(2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1c1nc(Br)nn1C
InChIInChI=1S/C9H15BrN4/c1-7-5-3-4-6-14(7)9-11-8(10)12-13(9)2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyKWEDSGZWGNSAKA-SSDOTTSWSA-N
XLogP1.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine
CID 171075675
1-[2-(3,5-Dibromo-1,2,4-triazol-1-YL)ethyl]piperidine
CID 71863463
1-(1-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854915
1-(4-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854916
1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 51000288
1-(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)azepane
CID 52897318
1-Ethyl-4-(1,2,4-triazol-1-yl)piperidine
CID 57856377
4-(2-Methyl-1,2,4-triazol-2-ium-1-yl)-1-propan-2-ylpiperidine
CID 59822115
1-Methyl-4-(1h-1,2,4-triazol-1-yl)piperidine
CID 76582366
1-Methyl-4-(1,2,4-triazol-4-yl)piperidine
CID 89936283
1,2-Dimethyl-4-(1,2,4-triazol-4-yl)piperidine
CID 89936499
1-Ethyl-2-methyl-4-(1,2,4-triazol-4-yl)piperidine
CID 89952771

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine?
The IUPAC name of (2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine (CID 171075648) is (2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine.
What is the SMILES notation for (2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine?
The canonical SMILES for (2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine is C[C@@H]1CCCCN1c1nc(Br)nn1C.
What is the InChIKey of (2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine?
The InChIKey is KWEDSGZWGNSAKA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-7-5-3-4-6-14(7)9-11-8(10)12-13(9)2/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine?
(2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine has a molecular weight of 259.15 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine is sourced from PubChem (CID 171075648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).