ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine

C9H13N5 — CID 143941364

IUPACethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine
SMILESCC.Cn1ncnc1-c1cnccn1
InChIInChI=1S/C7H7N5.C2H6/c1-12-7(10-5-11-12)6-4-8-2-3-9-6;1-2/h2-5H,1H3;1-2H3
InChIKeyHGSXMBWGUQSAOG-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.30
Rot. Bonds1

About ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine

ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine (PubChem CID 143941364) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Nameethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine
PubChem CID143941364
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Nameethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine
SMILESCC.Cn1ncnc1-c1cnccn1
InChIInChI=1S/C7H7N5.C2H6/c1-12-7(10-5-11-12)6-4-8-2-3-9-6;1-2/h2-5H,1H3;1-2H3
InChIKeyHGSXMBWGUQSAOG-UHFFFAOYSA-N
XLogP1.30
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
2-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-pyrazine
CID 655445
6,7,8,9-Tetrahydro-3-(2-pyrazinyl)-5H-1,2,4-triazolo[4,3-a]azepine
CID 2331358
(4-Methyl-5-pyrazin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetonitrile
CID 3228117
3-N,3-N,5-N,5-N-tetramethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 176142004
1,5,6-trimethyl-1H-pyrazolo[3,4-b]pyrazine
CID 301595
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928249
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928525
2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 75423485
N-Hydroxy-6-[1,2,4]triazol-1-yl-pyrazine-2-carboxamidine
CID 135508900
2-(5-pyrazin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 13524787
4-Ethyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869139

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine (CID 143941364) is ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine is CC.Cn1ncnc1-c1cnccn1.
What is the InChIKey of ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is HGSXMBWGUQSAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5.C2H6/c1-12-7(10-5-11-12)6-4-8-2-3-9-6;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine?
ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 191.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 143941364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).