6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C11H18N4 — CID 117153777

IUPAC6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCc2nc(C3CCNC3)nn2C1
InChIInChI=1S/C11H18N4/c1-8-2-3-10-13-11(14-15(10)7-8)9-4-5-12-6-9/h8-9,12H,2-7H2,1H3
InChIKeyKXYWYHYLDSAFQI-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.94
Rot. Bonds1

About 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117153777) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117153777
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCc2nc(C3CCNC3)nn2C1
InChIInChI=1S/C11H18N4/c1-8-2-3-10-13-11(14-15(10)7-8)9-4-5-12-6-9/h8-9,12H,2-7H2,1H3
InChIKeyKXYWYHYLDSAFQI-UHFFFAOYSA-N
XLogP0.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 117153777) is 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC1CCc2nc(C3CCNC3)nn2C1.
What is the InChIKey of 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KXYWYHYLDSAFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-2-3-10-13-11(14-15(10)7-8)9-4-5-12-6-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 206.29 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117153777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).