8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C13H20N4 — CID 166563454

IUPAC8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1nc2c(C(C)(C)C)ccc(N(C)C)n2n1
InChIInChI=1S/C13H20N4/c1-9-14-12-10(13(2,3)4)7-8-11(16(5)6)17(12)15-9/h7-8H,1-6H3
InChIKeyFUDNUOOPMIYJTH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.40
Rot. Bonds1

About 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 166563454) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID166563454
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1nc2c(C(C)(C)C)ccc(N(C)C)n2n1
InChIInChI=1S/C13H20N4/c1-9-14-12-10(13(2,3)4)7-8-11(16(5)6)17(12)15-9/h7-8H,1-6H3
InChIKeyFUDNUOOPMIYJTH-UHFFFAOYSA-N
XLogP2.40
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 166563454) is 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1nc2c(C(C)(C)C)ccc(N(C)C)n2n1.
What is the InChIKey of 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is FUDNUOOPMIYJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-14-12-10(13(2,3)4)7-8-11(16(5)6)17(12)15-9/h7-8H,1-6H3.
What are the key properties of 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 232.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N,N,2-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 166563454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).