(6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C14H16N6O2S — CID 95607438

IUPAC(6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESO=S1(=O)N=C(CN[C@H]2CCc3ncnn3C2)Nc2ccccc21
InChIInChI=1S/C14H16N6O2S/c21-23(22)12-4-2-1-3-11(12)18-13(19-23)7-15-10-5-6-14-16-9-17-20(14)8-10/h1-4,9-10,15H,5-8H2,(H,18,19)/t10-/m0/s1
InChIKeyWVOPCYVRLRFBDK-JTQLQIEISA-N
MW332.39 g/mol
LogP0.40
Rot. Bonds3

About (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95607438) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95607438
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name(6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESO=S1(=O)N=C(CN[C@H]2CCc3ncnn3C2)Nc2ccccc21
InChIInChI=1S/C14H16N6O2S/c21-23(22)12-4-2-1-3-11(12)18-13(19-23)7-15-10-5-6-14-16-9-17-20(14)8-10/h1-4,9-10,15H,5-8H2,(H,18,19)/t10-/m0/s1
InChIKeyWVOPCYVRLRFBDK-JTQLQIEISA-N
XLogP0.40
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95607438) is (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-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-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is O=S1(=O)N=C(CN[C@H]2CCc3ncnn3C2)Nc2ccccc21.
What is the InChIKey of (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is WVOPCYVRLRFBDK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N6O2S/c21-23(22)12-4-2-1-3-11(12)18-13(19-23)7-15-10-5-6-14-16-9-17-20(14)8-10/h1-4,9-10,15H,5-8H2,(H,18,19)/t10-/m0/s1.
What are the key properties of (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 332.39 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95607438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).