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

C17H24N4 — CID 82566161

IUPAC(2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine
SMILESCC(C)(C)c1nc2n(n1)C(c1ccccc1)CCC2CN
InChIInChI=1S/C17H24N4/c1-17(2,3)16-19-15-13(11-18)9-10-14(21(15)20-16)12-7-5-4-6-8-12/h4-8,13-14H,9-11,18H2,1-3H3
InChIKeyIOZRUHNRQQAIJM-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.00
Rot. Bonds2

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

(2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine (PubChem CID 82566161) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is (2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine
PubChem CID82566161
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name(2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine
SMILESCC(C)(C)c1nc2n(n1)C(c1ccccc1)CCC2CN
InChIInChI=1S/C17H24N4/c1-17(2,3)16-19-15-13(11-18)9-10-14(21(15)20-16)12-7-5-4-6-8-12/h4-8,13-14H,9-11,18H2,1-3H3
InChIKeyIOZRUHNRQQAIJM-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine?
The IUPAC name of (2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine (CID 82566161) is (2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine?
The canonical SMILES for (2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine is CC(C)(C)c1nc2n(n1)C(c1ccccc1)CCC2CN.
What is the InChIKey of (2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine?
The InChIKey is IOZRUHNRQQAIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(2,3)16-19-15-13(11-18)9-10-14(21(15)20-16)12-7-5-4-6-8-12/h4-8,13-14H,9-11,18H2,1-3H3.
What are the key properties of (2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine?
(2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine has a molecular weight of 284.41 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine is sourced from PubChem (CID 82566161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).