1-(2H-triazol-4-yl)-2H-pyrazine

C6H7N5 — CID 91117361

IUPAC1-(2H-triazol-4-yl)-2H-pyrazine
SMILESC1=CN(c2cn[nH]n2)CC=N1
InChIInChI=1S/C6H7N5/c1-3-11(4-2-7-1)6-5-8-10-9-6/h1-3,5H,4H2,(H,8,9,10)
InChIKeyBSHCJSJORVEPQD-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.17
Rot. Bonds1

About 1-(2H-triazol-4-yl)-2H-pyrazine

1-(2H-triazol-4-yl)-2H-pyrazine (PubChem CID 91117361) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 1-(2H-triazol-4-yl)-2H-pyrazine.

Molecular Properties

Compound Name1-(2H-triazol-4-yl)-2H-pyrazine
PubChem CID91117361
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name1-(2H-triazol-4-yl)-2H-pyrazine
SMILESC1=CN(c2cn[nH]n2)CC=N1
InChIInChI=1S/C6H7N5/c1-3-11(4-2-7-1)6-5-8-10-9-6/h1-3,5H,4H2,(H,8,9,10)
InChIKeyBSHCJSJORVEPQD-UHFFFAOYSA-N
XLogP0.17
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2H-triazol-4-yl)azepine
CID 175169389
4-(3,4-dihydropyrazol-2-yl)-2H-triazole
CID 174361598
1-(2H-triazol-4-yl)pyrrolidine-2,5-dione
CID 70083719
1-(2H-triazol-4-yl)piperazine;hydrochloride
CID 174759148
4-(2H-triazol-4-yl)piperazine-1-carboxamide
CID 174978419
1-propyl-2H-pyrazine
CID 53446009
dimethyl-bis(2H-triazol-4-yl)silane
CID 22468100
1-phenyl-4-(2H-triazol-4-yl)-2H-pyridine
CID 135393614
2-(2H-pyrazin-1-yl)acetamide
CID 70239978
1-pentyl-2H-pyrazine
CID 53445978
ethane;ethene;4-methyl-2H-triazole
CID 143611255
N-methyl-2H-triazol-4-amine
CID 18505590

Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-yl)-2H-pyrazine?
The IUPAC name of 1-(2H-triazol-4-yl)-2H-pyrazine (CID 91117361) is 1-(2H-triazol-4-yl)-2H-pyrazine.
What is the SMILES notation for 1-(2H-triazol-4-yl)-2H-pyrazine?
The canonical SMILES for 1-(2H-triazol-4-yl)-2H-pyrazine is C1=CN(c2cn[nH]n2)CC=N1.
What is the InChIKey of 1-(2H-triazol-4-yl)-2H-pyrazine?
The InChIKey is BSHCJSJORVEPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-3-11(4-2-7-1)6-5-8-10-9-6/h1-3,5H,4H2,(H,8,9,10).
What are the key properties of 1-(2H-triazol-4-yl)-2H-pyrazine?
1-(2H-triazol-4-yl)-2H-pyrazine has a molecular weight of 149.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-yl)-2H-pyrazine is sourced from PubChem (CID 91117361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).