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

C13H24N4 — CID 102792161

IUPAC3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1nnc2n1CCNC2C(C)(C)C
InChIInChI=1S/C13H24N4/c1-12(2,3)9-10-15-16-11(13(4,5)6)17(10)8-7-14-9/h9,14H,7-8H2,1-6H3
InChIKeyDNOYIXWPVZGJBK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.27
Rot. Bonds

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

3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792161) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792161
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1nnc2n1CCNC2C(C)(C)C
InChIInChI=1S/C13H24N4/c1-12(2,3)9-10-15-16-11(13(4,5)6)17(10)8-7-14-9/h9,14H,7-8H2,1-6H3
InChIKeyDNOYIXWPVZGJBK-UHFFFAOYSA-N
XLogP2.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bicyclo[3.1.0]hexanyl)-8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792079
8-tert-butyl-3-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792076
3-tert-butyl-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792242
8-tert-butyl-3-heptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792154
8-tert-butyl-3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792172
8-tert-butyl-3-(6-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792109
8-tert-butyl-3-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792045
8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103560656
8-tert-butyl-3-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103217898
8-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792155
3-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 146339076
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
CID 123599709

Frequently Asked Questions

What is the IUPAC name of 3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792161) is 3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)c1nnc2n1CCNC2C(C)(C)C.
What is the InChIKey of 3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DNOYIXWPVZGJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2,3)9-10-15-16-11(13(4,5)6)17(10)8-7-14-9/h9,14H,7-8H2,1-6H3.
What are the key properties of 3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 236.36 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).