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

C15H17N9 — CID 165415313

IUPAC5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cn[nH]c4)nn3C)nc12
InChIInChI=1S/C15H17N9/c1-9-6-16-10(2)15-19-12(21-24(9)15)4-5-13-20-14(22-23(13)3)11-7-17-18-8-11/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyUEJCORRHOLEKPA-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.04
Rot. Bonds4

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

5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 165415313) has the molecular formula C15H17N9 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID165415313
Molecular FormulaC15H17N9
Molecular Weight323.36 g/mol
Exact Mass323.16
IUPAC Name5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cn[nH]c4)nn3C)nc12
InChIInChI=1S/C15H17N9/c1-9-6-16-10(2)15-19-12(21-24(9)15)4-5-13-20-14(22-23(13)3)11-7-17-18-8-11/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyUEJCORRHOLEKPA-UHFFFAOYSA-N
XLogP1.04
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[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-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 165415313) is 5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3nc(-c4cn[nH]c4)nn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is UEJCORRHOLEKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9/c1-9-6-16-10(2)15-19-12(21-24(9)15)4-5-13-20-14(22-23(13)3)11-7-17-18-8-11/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 323.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 165415313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).