5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine

C15H15N9 — CID 165415127

IUPAC5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(-c4ccn[nH]4)nn3C)nc12
InChIInChI=1S/C15H15N9/c1-9-8-16-10(2)15-18-12(21-24(9)15)4-5-13-19-14(22-23(13)3)11-6-7-17-20-11/h4-8H,1-3H3,(H,17,20)/b5-4+
InChIKeySCWPEDNLCCSSSS-SNAWJCMRSA-N
MW321.35 g/mol
LogP1.43
Rot. Bonds3

About 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 165415127) has the molecular formula C15H15N9 and a molecular weight of 321.35 g/mol. Its IUPAC name is 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID165415127
Molecular FormulaC15H15N9
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(-c4ccn[nH]4)nn3C)nc12
InChIInChI=1S/C15H15N9/c1-9-8-16-10(2)15-18-12(21-24(9)15)4-5-13-19-14(22-23(13)3)11-6-7-17-20-11/h4-8H,1-3H3,(H,17,20)/b5-4+
InChIKeySCWPEDNLCCSSSS-SNAWJCMRSA-N
XLogP1.43
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 165415127) is 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(/C=C/c3nc(-c4ccn[nH]4)nn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is SCWPEDNLCCSSSS-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H15N9/c1-9-8-16-10(2)15-18-12(21-24(9)15)4-5-13-19-14(22-23(13)3)11-6-7-17-20-11/h4-8H,1-3H3,(H,17,20)/b5-4+.
What are the key properties of 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 321.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 165415127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).