(6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C13H16BrN5O — CID 97063165

IUPAC(6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)C[C@@H](Nc1ccc(Br)cn1)CC2
InChIInChI=1S/C13H16BrN5O/c1-20-8-12-17-13-5-3-10(7-19(13)18-12)16-11-4-2-9(14)6-15-11/h2,4,6,10H,3,5,7-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyWBSWAUPUZOTRCU-JTQLQIEISA-N
MW338.21 g/mol
LogP2.01
Rot. Bonds4

About (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 97063165) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID97063165
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name(6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)C[C@@H](Nc1ccc(Br)cn1)CC2
InChIInChI=1S/C13H16BrN5O/c1-20-8-12-17-13-5-3-10(7-19(13)18-12)16-11-4-2-9(14)6-15-11/h2,4,6,10H,3,5,7-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyWBSWAUPUZOTRCU-JTQLQIEISA-N
XLogP2.01
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 97063165) is (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COCc1nc2n(n1)C[C@@H](Nc1ccc(Br)cn1)CC2.
What is the InChIKey of (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is WBSWAUPUZOTRCU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-20-8-12-17-13-5-3-10(7-19(13)18-12)16-11-4-2-9(14)6-15-11/h2,4,6,10H,3,5,7-8H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 338.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 97063165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).