2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C12H21N3 — CID 58109994

IUPAC2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2n(n1)CCCC2C(C)C
InChIInChI=1S/C12H21N3/c1-8(2)10-6-5-7-15-12(10)13-11(14-15)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyFGRXQWATDPTOEY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds2

About 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58109994) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID58109994
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2n(n1)CCCC2C(C)C
InChIInChI=1S/C12H21N3/c1-8(2)10-6-5-7-15-12(10)13-11(14-15)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyFGRXQWATDPTOEY-UHFFFAOYSA-N
XLogP2.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 58109994) is 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC(C)c1nc2n(n1)CCCC2C(C)C.
What is the InChIKey of 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FGRXQWATDPTOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)10-6-5-7-15-12(10)13-11(14-15)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(propan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58109994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).