2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane

C14H23BrN4 — CID 142619227

IUPAC2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane
SMILESCC.CC.CC(C)n1cnnc1-c1cccc(Br)n1
InChIInChI=1S/C10H11BrN4.2C2H6/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyWTMIHAOBTIVLSX-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.74
Rot. Bonds2

About 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane

2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane (PubChem CID 142619227) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane.

Molecular Properties

Compound Name2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane
PubChem CID142619227
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane
SMILESCC.CC.CC(C)n1cnnc1-c1cccc(Br)n1
InChIInChI=1S/C10H11BrN4.2C2H6/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyWTMIHAOBTIVLSX-UHFFFAOYSA-N
XLogP4.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]pyridine
CID 155892977
3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
CID 154636541
1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-ol
CID 138465187
3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole
CID 103123719
3-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671011
1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol
CID 163574953
ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142483445
N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 142350876
4-bromo-2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 137435704
7-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide
CID 169227713
2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyridine-3-carboxamide
CID 153384507
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane?
The IUPAC name of 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane (CID 142619227) is 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane.
What is the SMILES notation for 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane?
The canonical SMILES for 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane is CC.CC.CC(C)n1cnnc1-c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane?
The InChIKey is WTMIHAOBTIVLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4.2C2H6/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;2*1-2/h3-7H,1-2H3;2*1-2H3.
What are the key properties of 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane?
2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane has a molecular weight of 327.27 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane is sourced from PubChem (CID 142619227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).