(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine

C7H11BrN4 — CID 83867313

IUPAC(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine
SMILESNCC1CCCc2nc(Br)nn21
InChIInChI=1S/C7H11BrN4/c8-7-10-6-3-1-2-5(4-9)12(6)11-7/h5H,1-4,9H2
InChIKeyFWPKDGNNXCKGDW-UHFFFAOYSA-N
MW231.10 g/mol
LogP0.88
Rot. Bonds1

About (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine

(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine (PubChem CID 83867313) has the molecular formula C7H11BrN4 and a molecular weight of 231.10 g/mol. Its IUPAC name is (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine
PubChem CID83867313
Molecular FormulaC7H11BrN4
Molecular Weight231.10 g/mol
Exact Mass230.02
IUPAC Name(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine
SMILESNCC1CCCc2nc(Br)nn21
InChIInChI=1S/C7H11BrN4/c8-7-10-6-3-1-2-5(4-9)12(6)11-7/h5H,1-4,9H2
InChIKeyFWPKDGNNXCKGDW-UHFFFAOYSA-N
XLogP0.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol
CID 82568144
2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 83867314
2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine
CID 83866071
1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine
CID 83866065
[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 83866488
[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155023
(3-chloro-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl)methanamine
CID 83869946
(3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl)methanamine
CID 83869944
(3-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine
CID 83866489
2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 112711625
(3-bromo-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136839109
(2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol
CID 117155027

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine?
The IUPAC name of (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine (CID 83867313) is (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine.
What is the SMILES notation for (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine?
The canonical SMILES for (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine is NCC1CCCc2nc(Br)nn21.
What is the InChIKey of (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine?
The InChIKey is FWPKDGNNXCKGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4/c8-7-10-6-3-1-2-5(4-9)12(6)11-7/h5H,1-4,9H2.
What are the key properties of (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine?
(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine has a molecular weight of 231.10 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine is sourced from PubChem (CID 83867313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).