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

C13H24N4 — CID 59486418

IUPAC7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)C1c2nncn2CCN1C(C)(C)C
InChIInChI=1S/C13H24N4/c1-12(2,3)10-11-15-14-9-16(11)7-8-17(10)13(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeySITCJIXSOWARAL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.48
Rot. Bonds

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

7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 59486418) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID59486418
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)C1c2nncn2CCN1C(C)(C)C
InChIInChI=1S/C13H24N4/c1-12(2,3)10-11-15-14-9-16(11)7-8-17(10)13(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeySITCJIXSOWARAL-UHFFFAOYSA-N
XLogP2.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 87052206
7-(3,3-dimethylbutyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 67977972
6,7-ditert-butyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 153289757
6-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 166970207
1-methyl-4-[1-methyl-3-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]piperazine
CID 72900544
9-tert-butyl-6,9-dihydro-5H-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 22972726
7-isopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 57531002
7-tert-butyl-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 57777171
7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 57777182
2-butyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 57917071
2,7-di(propan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 57917138
3,7-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 58073525

Frequently Asked Questions

What is the IUPAC name of 7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 59486418) is 7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)C1c2nncn2CCN1C(C)(C)C.
What is the InChIKey of 7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SITCJIXSOWARAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2,3)10-11-15-14-9-16(11)7-8-17(10)13(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 236.36 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-ditert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 59486418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).