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

C14H12N8 — CID 71735384

IUPAC5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCn1cc(-c2cncc3nc(Nc4cccnc4)nn23)cn1
InChIInChI=1S/C14H12N8/c1-21-9-10(5-17-21)12-7-16-8-13-19-14(20-22(12)13)18-11-3-2-4-15-6-11/h2-9H,1H3,(H,18,20)
InChIKeyKNUPRQLZIPUWIL-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.66
Rot. Bonds3

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

5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 71735384) has the molecular formula C14H12N8 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID71735384
Molecular FormulaC14H12N8
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCn1cc(-c2cncc3nc(Nc4cccnc4)nn23)cn1
InChIInChI=1S/C14H12N8/c1-21-9-10(5-17-21)12-7-16-8-13-19-14(20-22(12)13)18-11-3-2-4-15-6-11/h2-9H,1H3,(H,18,20)
InChIKeyKNUPRQLZIPUWIL-UHFFFAOYSA-N
XLogP1.66
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 71735384) is 5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Cn1cc(-c2cncc3nc(Nc4cccnc4)nn23)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is KNUPRQLZIPUWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8/c1-21-9-10(5-17-21)12-7-16-8-13-19-14(20-22(12)13)18-11-3-2-4-15-6-11/h2-9H,1H3,(H,18,20).
What are the key properties of 5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 292.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 71735384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).