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

C16H20N8 — CID 95608959

IUPAC(6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1cc(C)n(-c2cncc(N[C@H]3CCc4nc(C)nn4C3)n2)n1
InChIInChI=1S/C16H20N8/c1-10-6-11(2)24(21-10)16-8-17-7-14(20-16)19-13-4-5-15-18-12(3)22-23(15)9-13/h6-8,13H,4-5,9H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyKAYXETRFFGVEFA-ZDUSSCGKSA-N
MW324.39 g/mol
LogP1.61
Rot. Bonds3

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

(6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95608959) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is (6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95608959
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name(6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1cc(C)n(-c2cncc(N[C@H]3CCc4nc(C)nn4C3)n2)n1
InChIInChI=1S/C16H20N8/c1-10-6-11(2)24(21-10)16-8-17-7-14(20-16)19-13-4-5-15-18-12(3)22-23(15)9-13/h6-8,13H,4-5,9H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyKAYXETRFFGVEFA-ZDUSSCGKSA-N
XLogP1.61
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-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-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95608959) is (6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cc1cc(C)n(-c2cncc(N[C@H]3CCc4nc(C)nn4C3)n2)n1.
What is the InChIKey of (6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is KAYXETRFFGVEFA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N8/c1-10-6-11(2)24(21-10)16-8-17-7-14(20-16)19-13-4-5-15-18-12(3)22-23(15)9-13/h6-8,13H,4-5,9H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 324.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95608959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).