8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C11H16N4 — CID 134186125

IUPAC8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCNc1nnc2c(C(C)(C)C)cccn12
InChIInChI=1S/C11H16N4/c1-11(2,3)8-6-5-7-15-9(8)13-14-10(15)12-4/h5-7H,1-4H3,(H,12,14)
InChIKeyWFJNMDIHNOBSPO-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.07
Rot. Bonds1

About 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine

8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 134186125) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID134186125
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCNc1nnc2c(C(C)(C)C)cccn12
InChIInChI=1S/C11H16N4/c1-11(2,3)8-6-5-7-15-9(8)13-14-10(15)12-4/h5-7H,1-4H3,(H,12,14)
InChIKeyWFJNMDIHNOBSPO-UHFFFAOYSA-N
XLogP2.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 134186125) is 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CNc1nnc2c(C(C)(C)C)cccn12.
What is the InChIKey of 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is WFJNMDIHNOBSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-11(2,3)8-6-5-7-15-9(8)13-14-10(15)12-4/h5-7H,1-4H3,(H,12,14).
What are the key properties of 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 204.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 134186125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).