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

C11H14N6O — CID 95329616

IUPAC(6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1ccnc(N[C@H]2CCc3ncnn3C2)n1
InChIInChI=1S/C11H14N6O/c1-18-10-4-5-12-11(16-10)15-8-2-3-9-13-7-14-17(9)6-8/h4-5,7-8H,2-3,6H2,1H3,(H,12,15,16)/t8-/m0/s1
InChIKeyOAOPUTVKQRAMPC-QMMMGPOBSA-N
MW246.27 g/mol
LogP0.50
Rot. Bonds3

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

(6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95329616) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is (6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95329616
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name(6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1ccnc(N[C@H]2CCc3ncnn3C2)n1
InChIInChI=1S/C11H14N6O/c1-18-10-4-5-12-11(16-10)15-8-2-3-9-13-7-14-17(9)6-8/h4-5,7-8H,2-3,6H2,1H3,(H,12,15,16)/t8-/m0/s1
InChIKeyOAOPUTVKQRAMPC-QMMMGPOBSA-N
XLogP0.50
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95329616) is (6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COc1ccnc(N[C@H]2CCc3ncnn3C2)n1.
What is the InChIKey of (6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is OAOPUTVKQRAMPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N6O/c1-18-10-4-5-12-11(16-10)15-8-2-3-9-13-7-14-17(9)6-8/h4-5,7-8H,2-3,6H2,1H3,(H,12,15,16)/t8-/m0/s1.
What are the key properties of (6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 246.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95329616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).