N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C9H9N7 — CID 79778885

IUPACN-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCn1ccc(Nc2nccn3cnnc23)n1
InChIInChI=1S/C9H9N7/c1-15-4-2-7(14-15)12-8-9-13-11-6-16(9)5-3-10-8/h2-6H,1H3,(H,10,12,14)
InChIKeyBLYUCTROQPBBET-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.60
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 79778885) has the molecular formula C9H9N7 and a molecular weight of 215.22 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID79778885
Molecular FormulaC9H9N7
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCn1ccc(Nc2nccn3cnnc23)n1
InChIInChI=1S/C9H9N7/c1-15-4-2-7(14-15)12-8-9-13-11-6-16(9)5-3-10-8/h2-6H,1H3,(H,10,12,14)
InChIKeyBLYUCTROQPBBET-UHFFFAOYSA-N
XLogP0.60
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 79778885) is N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cn1ccc(Nc2nccn3cnnc23)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is BLYUCTROQPBBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7/c1-15-4-2-7(14-15)12-8-9-13-11-6-16(9)5-3-10-8/h2-6H,1H3,(H,10,12,14).
What are the key properties of N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 215.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 79778885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).