6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C12H21N3 — CID 136559822

IUPAC6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Cc1nnc2n1CC(C)(C)CC2
InChIInChI=1S/C12H21N3/c1-9(2)7-11-14-13-10-5-6-12(3,4)8-15(10)11/h9H,5-8H2,1-4H3
InChIKeyKMNXJUYAFMBEPM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds2

About 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 136559822) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID136559822
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Cc1nnc2n1CC(C)(C)CC2
InChIInChI=1S/C12H21N3/c1-9(2)7-11-14-13-10-5-6-12(3,4)8-15(10)11/h9H,5-8H2,1-4H3
InChIKeyKMNXJUYAFMBEPM-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 136559822) is 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CC(C)Cc1nnc2n1CC(C)(C)CC2.
What is the InChIKey of 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KMNXJUYAFMBEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)7-11-14-13-10-5-6-12(3,4)8-15(10)11/h9H,5-8H2,1-4H3.
What are the key properties of 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 136559822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).