2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine

C6H7N5 — CID 142798421

IUPAC2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine
SMILESC1=NCN(c2cnccn2)N1
InChIInChI=1S/C6H7N5/c1-2-9-6(3-7-1)11-5-8-4-10-11/h1-4H,5H2,(H,8,10)
InChIKeyKHMZXWMZUFAQQR-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.21
Rot. Bonds1

About 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine

2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine (PubChem CID 142798421) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine.

Molecular Properties

Compound Name2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine
PubChem CID142798421
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine
SMILESC1=NCN(c2cnccn2)N1
InChIInChI=1S/C6H7N5/c1-2-9-6(3-7-1)11-5-8-4-10-11/h1-4H,5H2,(H,8,10)
InChIKeyKHMZXWMZUFAQQR-UHFFFAOYSA-N
XLogP-0.21
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine?
The IUPAC name of 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine (CID 142798421) is 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine.
What is the SMILES notation for 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine?
The canonical SMILES for 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine is C1=NCN(c2cnccn2)N1.
What is the InChIKey of 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine?
The InChIKey is KHMZXWMZUFAQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-2-9-6(3-7-1)11-5-8-4-10-11/h1-4H,5H2,(H,8,10).
What are the key properties of 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine?
2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine has a molecular weight of 149.16 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine is sourced from PubChem (CID 142798421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).