5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine

C13H19N5 — CID 79547302

IUPAC5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCc1ccccn1
InChIInChI=1S/C13H19N5/c1-13(2,3)11-12(14)16-17-18(11)9-7-10-6-4-5-8-15-10/h4-6,8H,7,9,14H2,1-3H3
InChIKeyVUSBSOMLOSLCIT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.80
Rot. Bonds3

About 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine

5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine (PubChem CID 79547302) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine
PubChem CID79547302
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCc1ccccn1
InChIInChI=1S/C13H19N5/c1-13(2,3)11-12(14)16-17-18(11)9-7-10-6-4-5-8-15-10/h4-6,8H,7,9,14H2,1-3H3
InChIKeyVUSBSOMLOSLCIT-UHFFFAOYSA-N
XLogP1.80
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine
CID 129175051
5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine
CID 79547920
3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol
CID 167904939
1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
CID 60910683
2-(5,5-dimethylhexyl)pyridine
CID 151657269
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
2-[2-(2,2-dimethylpropylsulfanyl)ethyl]pyridine
CID 58756663
2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine
CID 60893202
1-[(5-bromofuran-2-yl)methyl]-5-tert-butyltriazol-4-amine
CID 79548181
[5-methyl-1-(pyridin-2-ylmethyl)triazol-4-yl]methanamine
CID 82506565
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine
CID 164769653

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine (CID 79547302) is 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine is CC(C)(C)c1c(N)nnn1CCc1ccccn1.
What is the InChIKey of 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine?
The InChIKey is VUSBSOMLOSLCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,3)11-12(14)16-17-18(11)9-7-10-6-4-5-8-15-10/h4-6,8H,7,9,14H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine?
5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine is sourced from PubChem (CID 79547302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).