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

C13H22N4 — CID 114239815

IUPAC3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1CCCC(c2nnc3n2CCCC3)NCC1
InChIInChI=1S/C13H22N4/c1-2-5-9-14-11(7-3-1)13-16-15-12-8-4-6-10-17(12)13/h11,14H,1-10H2
InChIKeySFMSAYLIQZEWFB-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.21
Rot. Bonds1

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

3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 114239815) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID114239815
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1CCCC(c2nnc3n2CCCC3)NCC1
InChIInChI=1S/C13H22N4/c1-2-5-9-14-11(7-3-1)13-16-15-12-8-4-6-10-17(12)13/h11,14H,1-10H2
InChIKeySFMSAYLIQZEWFB-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 114239810
6-methyl-3-piperidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148558
cyclohexyl-[3-[(2R)-pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 124968988
(3-piperidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 117148062
3-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057789
7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-[(2S)-piperidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 95832936
N-cyclohexyl-N-methyl-2-[3-[(2S)-pyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]acetamide
CID 92622197
7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95834004
1-bromo-3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116984576
2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)cyclopentan-1-amine
CID 64818363
2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 119874123
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)azepane
CID 64561912

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 114239815) is 3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is C1CCCC(c2nnc3n2CCCC3)NCC1.
What is the InChIKey of 3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SFMSAYLIQZEWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-5-9-14-11(7-3-1)13-16-15-12-8-4-6-10-17(12)13/h11,14H,1-10H2.
What are the key properties of 3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 234.35 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 114239815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).