5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C14H24N4 — CID 117150011

IUPAC5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1CCCC1c1nnc2n1C(C)CCC2
InChIInChI=1S/C14H24N4/c1-10(2)17-9-5-7-12(17)14-16-15-13-8-4-6-11(3)18(13)14/h10-12H,4-9H2,1-3H3
InChIKeyXQVGDMGMDCROBN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.72
Rot. Bonds2

About 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117150011) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117150011
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1CCCC1c1nnc2n1C(C)CCC2
InChIInChI=1S/C14H24N4/c1-10(2)17-9-5-7-12(17)14-16-15-13-8-4-6-11(3)18(13)14/h10-12H,4-9H2,1-3H3
InChIKeyXQVGDMGMDCROBN-UHFFFAOYSA-N
XLogP2.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150015
5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149999
3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150003
5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149774
5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149794
[3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149546
[3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150908
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150012
3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139116
3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
CID 115079719
3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148518
2-chloro-5-(1-propan-2-ylpyrrolidin-2-yl)pyridine
CID 102539185

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117150011) is 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)N1CCCC1c1nnc2n1C(C)CCC2.
What is the InChIKey of 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XQVGDMGMDCROBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)17-9-5-7-12(17)14-16-15-13-8-4-6-11(3)18(13)14/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 248.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117150011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).