[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine

C17H24N4 — CID 82568015

IUPAC[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2nc3n(n2)CCC(CN)C3)cc1
InChIInChI=1S/C17H24N4/c1-17(2,3)14-6-4-13(5-7-14)16-19-15-10-12(11-18)8-9-21(15)20-16/h4-7,12H,8-11,18H2,1-3H3
InChIKeySTSQCEZZXPAPKG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.76
Rot. Bonds2

About [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine

[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine (PubChem CID 82568015) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
PubChem CID82568015
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2nc3n(n2)CCC(CN)C3)cc1
InChIInChI=1S/C17H24N4/c1-17(2,3)14-6-4-13(5-7-14)16-19-15-10-12(11-18)8-9-21(15)20-16/h4-7,12H,8-11,18H2,1-3H3
InChIKeySTSQCEZZXPAPKG-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine (CID 82568015) is [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine is CC(C)(C)c1ccc(-c2nc3n(n2)CCC(CN)C3)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine?
The InChIKey is STSQCEZZXPAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(2,3)14-6-4-13(5-7-14)16-19-15-10-12(11-18)8-9-21(15)20-16/h4-7,12H,8-11,18H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine?
[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine has a molecular weight of 284.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 82568015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).