3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine

C13H18N4 — CID 83071114

IUPAC3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCC1(c2nnc3cc(C)ccn23)CCCN1
InChIInChI=1S/C13H18N4/c1-3-13(6-4-7-14-13)12-16-15-11-9-10(2)5-8-17(11)12/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyHRHIRCNKDTULFM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.03
Rot. Bonds2

About 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine

3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 83071114) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID83071114
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCC1(c2nnc3cc(C)ccn23)CCCN1
InChIInChI=1S/C13H18N4/c1-3-13(6-4-7-14-13)12-16-15-11-9-10(2)5-8-17(11)12/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyHRHIRCNKDTULFM-UHFFFAOYSA-N
XLogP2.03
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 83071114) is 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine is CCC1(c2nnc3cc(C)ccn23)CCCN1.
What is the InChIKey of 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HRHIRCNKDTULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-13(6-4-7-14-13)12-16-15-11-9-10(2)5-8-17(11)12/h5,8-9,14H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 230.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 83071114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).