3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C15H25N7 — CID 138033007

IUPAC3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCn1c(C)nnc1CN1CCn2c(nnc2C(C)(C)C)C1
InChIInChI=1S/C15H25N7/c1-6-21-11(2)16-17-12(21)9-20-7-8-22-13(10-20)18-19-14(22)15(3,4)5/h6-10H2,1-5H3
InChIKeyYNPLYVXXTWHWJB-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.51
Rot. Bonds3

About 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 138033007) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID138033007
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCn1c(C)nnc1CN1CCn2c(nnc2C(C)(C)C)C1
InChIInChI=1S/C15H25N7/c1-6-21-11(2)16-17-12(21)9-20-7-8-22-13(10-20)18-19-14(22)15(3,4)5/h6-10H2,1-5H3
InChIKeyYNPLYVXXTWHWJB-UHFFFAOYSA-N
XLogP1.51
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 138033007) is 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCn1c(C)nnc1CN1CCn2c(nnc2C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YNPLYVXXTWHWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7/c1-6-21-11(2)16-17-12(21)9-20-7-8-22-13(10-20)18-19-14(22)15(3,4)5/h6-10H2,1-5H3.
What are the key properties of 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 303.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 138033007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).