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

C13H20N6 — CID 138032824

IUPAC7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1n[nH]c(CN2CCn3cncc3C2)n1
InChIInChI=1S/C13H20N6/c1-13(2,3)12-15-11(16-17-12)8-18-4-5-19-9-14-6-10(19)7-18/h6,9H,4-5,7-8H2,1-3H3,(H,15,16,17)
InChIKeyRLJZMACLTQUIHY-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.31
Rot. Bonds2

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

7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 138032824) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID138032824
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1n[nH]c(CN2CCn3cncc3C2)n1
InChIInChI=1S/C13H20N6/c1-13(2,3)12-15-11(16-17-12)8-18-4-5-19-9-14-6-10(19)7-18/h6,9H,4-5,7-8H2,1-3H3,(H,15,16,17)
InChIKeyRLJZMACLTQUIHY-UHFFFAOYSA-N
XLogP1.31
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 138032824) is 7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CC(C)(C)c1n[nH]c(CN2CCn3cncc3C2)n1.
What is the InChIKey of 7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is RLJZMACLTQUIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-13(2,3)12-15-11(16-17-12)8-18-4-5-19-9-14-6-10(19)7-18/h6,9H,4-5,7-8H2,1-3H3,(H,15,16,17).
What are the key properties of 7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 260.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 138032824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).