(6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C16H18N6O2 — CID 95314021

IUPAC(6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1ccc(-c2nnc(CN[C@H]3CCc4ncnn4C3)o2)cc1
InChIInChI=1S/C16H18N6O2/c1-23-13-5-2-11(3-6-13)16-21-20-15(24-16)8-17-12-4-7-14-18-10-19-22(14)9-12/h2-3,5-6,10,12,17H,4,7-9H2,1H3/t12-/m0/s1
InChIKeyOOQSRKITEMDLBJ-LBPRGKRZSA-N
MW326.36 g/mol
LogP1.44
Rot. Bonds5

About (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95314021) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95314021
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1ccc(-c2nnc(CN[C@H]3CCc4ncnn4C3)o2)cc1
InChIInChI=1S/C16H18N6O2/c1-23-13-5-2-11(3-6-13)16-21-20-15(24-16)8-17-12-4-7-14-18-10-19-22(14)9-12/h2-3,5-6,10,12,17H,4,7-9H2,1H3/t12-/m0/s1
InChIKeyOOQSRKITEMDLBJ-LBPRGKRZSA-N
XLogP1.44
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

(2S)-1-(4-methoxyphenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95323235
N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 60702922
N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726
(6S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95336530
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
(6R)-N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95336287
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
N-[(5-phenylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119124106
(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329007
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95314021) is (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COc1ccc(-c2nnc(CN[C@H]3CCc4ncnn4C3)o2)cc1.
What is the InChIKey of (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is OOQSRKITEMDLBJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-23-13-5-2-11(3-6-13)16-21-20-15(24-16)8-17-12-4-7-14-18-10-19-22(14)9-12/h2-3,5-6,10,12,17H,4,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 326.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95314021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).