5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine

C11H16N6 — CID 79542874

IUPAC5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1Cc1cnccn1
InChIInChI=1S/C11H16N6/c1-11(2,3)9-10(12)15-16-17(9)7-8-6-13-4-5-14-8/h4-6H,7,12H2,1-3H3
InChIKeyCQUSKKPHMKDGBP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.00
Rot. Bonds2

About 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine

5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine (PubChem CID 79542874) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine
PubChem CID79542874
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1Cc1cnccn1
InChIInChI=1S/C11H16N6/c1-11(2,3)9-10(12)15-16-17(9)7-8-6-13-4-5-14-8/h4-6H,7,12H2,1-3H3
InChIKeyCQUSKKPHMKDGBP-UHFFFAOYSA-N
XLogP1.00
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine (CID 79542874) is 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine is CC(C)(C)c1c(N)nnn1Cc1cnccn1.
What is the InChIKey of 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine?
The InChIKey is CQUSKKPHMKDGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-11(2,3)9-10(12)15-16-17(9)7-8-6-13-4-5-14-8/h4-6H,7,12H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine?
5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine is sourced from PubChem (CID 79542874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).