7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C9H16N4 — CID 59346780

IUPAC7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)N1CCn2cnnc2C1
InChIInChI=1S/C9H16N4/c1-9(2,3)13-5-4-12-7-10-11-8(12)6-13/h7H,4-6H2,1-3H3
InChIKeyNXJMBFCTWGLQMZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.89
Rot. Bonds

About 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 59346780) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID59346780
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)N1CCn2cnnc2C1
InChIInChI=1S/C9H16N4/c1-9(2,3)13-5-4-12-7-10-11-8(12)6-13/h7H,4-6H2,1-3H3
InChIKeyNXJMBFCTWGLQMZ-UHFFFAOYSA-N
XLogP0.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 59346780) is 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)N1CCn2cnnc2C1.
What is the InChIKey of 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NXJMBFCTWGLQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(2,3)13-5-4-12-7-10-11-8(12)6-13/h7H,4-6H2,1-3H3.
What are the key properties of 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 180.25 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 59346780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).