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

C9H18N4 — CID 146649894

IUPAC5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine
SMILESCC(C)(C)N1CCN2N=NCC2C1
InChIInChI=1S/C9H18N4/c1-9(2,3)12-4-5-13-8(7-12)6-10-11-13/h8H,4-7H2,1-3H3
InChIKeyIYIMWYVQZKLPJH-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.15
Rot. Bonds

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

5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine (PubChem CID 146649894) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine
PubChem CID146649894
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine
SMILESCC(C)(C)N1CCN2N=NCC2C1
InChIInChI=1S/C9H18N4/c1-9(2,3)12-4-5-13-8(7-12)6-10-11-13/h8H,4-7H2,1-3H3
InChIKeyIYIMWYVQZKLPJH-UHFFFAOYSA-N
XLogP1.15
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine?
The IUPAC name of 5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine (CID 146649894) is 5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine?
The canonical SMILES for 5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine is CC(C)(C)N1CCN2N=NCC2C1.
What is the InChIKey of 5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine?
The InChIKey is IYIMWYVQZKLPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-9(2,3)12-4-5-13-8(7-12)6-10-11-13/h8H,4-7H2,1-3H3.
What are the key properties of 5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine?
5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine has a molecular weight of 182.27 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3a,4,6,7-tetrahydro-3H-triazolo[1,5-a]pyrazine is sourced from PubChem (CID 146649894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).