2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C17H24N4 — CID 119135625

IUPAC2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)CC(NCC(C)c1ccccc1)CC2
InChIInChI=1S/C17H24N4/c1-3-16-19-17-10-9-15(12-21(17)20-16)18-11-13(2)14-7-5-4-6-8-14/h4-8,13,15,18H,3,9-12H2,1-2H3
InChIKeyMGFDAKBZHZKZEI-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.55
Rot. Bonds5

About 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 119135625) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID119135625
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)CC(NCC(C)c1ccccc1)CC2
InChIInChI=1S/C17H24N4/c1-3-16-19-17-10-9-15(12-21(17)20-16)18-11-13(2)14-7-5-4-6-8-14/h4-8,13,15,18H,3,9-12H2,1-2H3
InChIKeyMGFDAKBZHZKZEI-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 119135625) is 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCc1nc2n(n1)CC(NCC(C)c1ccccc1)CC2.
What is the InChIKey of 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is MGFDAKBZHZKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-16-19-17-10-9-15(12-21(17)20-16)18-11-13(2)14-7-5-4-6-8-14/h4-8,13,15,18H,3,9-12H2,1-2H3.
What are the key properties of 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 284.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 119135625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).