1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine

C8H13BrN4 — CID 83867915

IUPAC1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine
SMILESCNCC1CCc2nnc(Br)n2C1
InChIInChI=1S/C8H13BrN4/c1-10-4-6-2-3-7-11-12-8(9)13(7)5-6/h6,10H,2-5H2,1H3
InChIKeyHOQKRMSDQLZCIJ-UHFFFAOYSA-N
MW245.12 g/mol
LogP0.82
Rot. Bonds2

About 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine

1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine (PubChem CID 83867915) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine
PubChem CID83867915
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine
SMILESCNCC1CCc2nnc(Br)n2C1
InChIInChI=1S/C8H13BrN4/c1-10-4-6-2-3-7-11-12-8(9)13(7)5-6/h6,10H,2-5H2,1H3
InChIKeyHOQKRMSDQLZCIJ-UHFFFAOYSA-N
XLogP0.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine with MolForge

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Related Compounds

N-methyl-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95732943
1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine
CID 83867685
1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine
CID 83869834
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 83866053
(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 71755954
[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 95970239
N-methyl-1-(2-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanamine
CID 84718418
N-methyl-1-(4-methylidenecyclohexyl)methanamine
CID 88567743
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95610747
1-[1-(4-bromo-2,6-dichlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62512255
1-cyclopropyl-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine
CID 119147143

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine (CID 83867915) is 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine is CNCC1CCc2nnc(Br)n2C1.
What is the InChIKey of 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine?
The InChIKey is HOQKRMSDQLZCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-10-4-6-2-3-7-11-12-8(9)13(7)5-6/h6,10H,2-5H2,1H3.
What are the key properties of 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine?
1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine has a molecular weight of 245.12 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 83867915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).