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

C10H16N4O2 — CID 56972866

IUPACtert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nncc2C1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)13-4-5-14-8(7-13)6-11-12-14/h6H,4-5,7H2,1-3H3
InChIKeyWJRDRGQJIDIENS-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.03
Rot. Bonds

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

tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 56972866) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID56972866
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nametert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nncc2C1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)13-4-5-14-8(7-13)6-11-12-14/h6H,4-5,7H2,1-3H3
InChIKeyWJRDRGQJIDIENS-UHFFFAOYSA-N
XLogP1.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 70700366
tert-butyl 2-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121229919
[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]boronic acid
CID 163323414
tert-butyl 2-(chloromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 130114897
tert-butyl 3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 169193876
tert-butyl 2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 171367748
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate
CID 170974997
tert-butyl 2-anilino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 170328009
tert-butyl 3-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484167
tert-butyl 3-(aminomethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
CID 83854645
tert-butyl 2-iodo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
CID 130115016

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate (CID 56972866) is tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2nncc2C1.
What is the InChIKey of tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is WJRDRGQJIDIENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)13-4-5-14-8(7-13)6-11-12-14/h6H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 56972866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).