2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C13H23N3 — CID 118181897

IUPAC2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)C1CCCn2nc(C(C)(C)C)nc21
InChIInChI=1S/C13H23N3/c1-9(2)10-7-6-8-16-11(10)14-12(15-16)13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyKNDFKDPOTDNXPL-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.11
Rot. Bonds1

About 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 118181897) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID118181897
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)C1CCCn2nc(C(C)(C)C)nc21
InChIInChI=1S/C13H23N3/c1-9(2)10-7-6-8-16-11(10)14-12(15-16)13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyKNDFKDPOTDNXPL-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 118181897) is 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC(C)C1CCCn2nc(C(C)(C)C)nc21.
What is the InChIKey of 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KNDFKDPOTDNXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)10-7-6-8-16-11(10)14-12(15-16)13(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 221.35 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 118181897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).