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

C16H29N3 — CID 166647997

IUPAC3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCCCC(CCCC)c1nnc2n1CCCC2
InChIInChI=1S/C16H29N3/c1-3-5-7-11-14(10-6-4-2)16-18-17-15-12-8-9-13-19(15)16/h14H,3-13H2,1-2H3
InChIKeyHUUPSDVTRGHBIU-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.47
Rot. Bonds8

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

3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 166647997) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID166647997
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCCCC(CCCC)c1nnc2n1CCCC2
InChIInChI=1S/C16H29N3/c1-3-5-7-11-14(10-6-4-2)16-18-17-15-12-8-9-13-19(15)16/h14H,3-13H2,1-2H3
InChIKeyHUUPSDVTRGHBIU-UHFFFAOYSA-N
XLogP4.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 136559822
CID 136580115
CID 136580115
CID 70575756
CID 70575756
CID 142265865
CID 142265865
CID 155157340
CID 155157340
CID 155157341
CID 155157341
CID 155157343
CID 155157343
CID 163390120
CID 163390120

Frequently Asked Questions

What is the IUPAC name of 3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 166647997) is 3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CCCCCC(CCCC)c1nnc2n1CCCC2.
What is the InChIKey of 3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HUUPSDVTRGHBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-7-11-14(10-6-4-2)16-18-17-15-12-8-9-13-19(15)16/h14H,3-13H2,1-2H3.
What are the key properties of 3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 263.43 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decan-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 166647997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).