7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C10H18N4 — CID 123667679

IUPAC7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC(C)(C)N1CCn2cnnc2C1
InChIInChI=1S/C10H18N4/c1-4-10(2,3)14-6-5-13-8-11-12-9(13)7-14/h8H,4-7H2,1-3H3
InChIKeyFADOOFDKAAIJAS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.28
Rot. Bonds2

About 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 123667679) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID123667679
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC(C)(C)N1CCn2cnnc2C1
InChIInChI=1S/C10H18N4/c1-4-10(2,3)14-6-5-13-8-11-12-9(13)7-14/h8H,4-7H2,1-3H3
InChIKeyFADOOFDKAAIJAS-UHFFFAOYSA-N
XLogP1.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 123667679) is 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCC(C)(C)N1CCn2cnnc2C1.
What is the InChIKey of 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FADOOFDKAAIJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-10(2,3)14-6-5-13-8-11-12-9(13)7-14/h8H,4-7H2,1-3H3.
What are the key properties of 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 194.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 123667679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).