3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C14H21F3N4 — CID 106979427

IUPAC3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCC1(c2nnc3n2CC(C(F)(F)F)CC3)CCCN1
InChIInChI=1S/C14H21F3N4/c1-2-6-13(7-3-8-18-13)12-20-19-11-5-4-10(9-21(11)12)14(15,16)17/h10,18H,2-9H2,1H3
InChIKeyFPQMJVKSPOCDCQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.78
Rot. Bonds3

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

3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 106979427) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID106979427
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCC1(c2nnc3n2CC(C(F)(F)F)CC3)CCCN1
InChIInChI=1S/C14H21F3N4/c1-2-6-13(7-3-8-18-13)12-20-19-11-5-4-10(9-21(11)12)14(15,16)17/h10,18H,2-9H2,1H3
InChIKeyFPQMJVKSPOCDCQ-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine dihydrochloride
CID 71756350
[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 71757723
[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 73994629
1-(7-(trifluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-yl)methanamine dihydrochloride
CID 119106377
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 71756351
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 121515910
trans-(1S,2S)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 137992724
3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}pyrrolidine
CID 81057789
[3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 83866403

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 106979427) is 3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CCCC1(c2nnc3n2CC(C(F)(F)F)CC3)CCCN1.
What is the InChIKey of 3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FPQMJVKSPOCDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-2-6-13(7-3-8-18-13)12-20-19-11-5-4-10(9-21(11)12)14(15,16)17/h10,18H,2-9H2,1H3.
What are the key properties of 3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 302.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 106979427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).