N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C13H16N8 — CID 129050244

IUPACN-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1ccc(Nc2nc(C3CCNC3)cn3ncnc23)n1
InChIInChI=1S/C13H16N8/c1-20-5-3-11(19-20)18-12-13-15-8-16-21(13)7-10(17-12)9-2-4-14-6-9/h3,5,7-9,14H,2,4,6H2,1H3,(H,17,18,19)
InChIKeyQQKAVIKXEKQJKQ-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.68
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 129050244) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID129050244
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC NameN-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1ccc(Nc2nc(C3CCNC3)cn3ncnc23)n1
InChIInChI=1S/C13H16N8/c1-20-5-3-11(19-20)18-12-13-15-8-16-21(13)7-10(17-12)9-2-4-14-6-9/h3,5,7-9,14H,2,4,6H2,1H3,(H,17,18,19)
InChIKeyQQKAVIKXEKQJKQ-UHFFFAOYSA-N
XLogP0.68
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 129050244) is N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Cn1ccc(Nc2nc(C3CCNC3)cn3ncnc23)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is QQKAVIKXEKQJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-20-5-3-11(19-20)18-12-13-15-8-16-21(13)7-10(17-12)9-2-4-14-6-9/h3,5,7-9,14H,2,4,6H2,1H3,(H,17,18,19).
What are the key properties of N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 284.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-6-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 129050244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).