5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine

C6H6N6 — CID 3826939

IUPAC5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2cnccn2)n1
InChIInChI=1S/C6H6N6/c7-6-10-5(11-12-6)4-3-8-1-2-9-4/h1-3H,(H3,7,10,11,12)
InChIKeyZWLIUEPTIJNVTQ-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.16
Rot. Bonds1

About 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine

5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine (PubChem CID 3826939) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine
PubChem CID3826939
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2cnccn2)n1
InChIInChI=1S/C6H6N6/c7-6-10-5(11-12-6)4-3-8-1-2-9-4/h1-3H,(H3,7,10,11,12)
InChIKeyZWLIUEPTIJNVTQ-UHFFFAOYSA-N
XLogP-0.16
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine
CID 57170188
4,7-Diaza-1H-indazole
CID 12913751
2-(2H-tetrazol-5-yl)pyrazine
CID 482250
1h-Pyrazolo[3,4-b]pyrazin-3-amine
CID 294464
Sdccgsbi-0659126.P001
CID 53192258
2-(5-pyrazin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 13524787
2-[5-(1-isopentyl-3-piperidyl)-4H-1,2,4-triazol-3-yl]pyrazine
CID 53192062
2-(5-piperidin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 86820405
3,5-di(2-pyrazinyl)-4H-1,2,4-triazol-4-ylamine
CID 3838266
2-(1H-1,2,4-Triazol-5-yl)pyrazine
CID 12145987
1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
2-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
CID 176177047

Frequently Asked Questions

What is the IUPAC name of 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine (CID 3826939) is 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2cnccn2)n1.
What is the InChIKey of 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is ZWLIUEPTIJNVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6/c7-6-10-5(11-12-6)4-3-8-1-2-9-4/h1-3H,(H3,7,10,11,12).
What are the key properties of 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine?
5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 162.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazin-2-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 3826939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).