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

C15H24N6 — CID 146046343

IUPAC7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCCCc1nc(C2CCn3ncnc3C2)n(CC)n1
InChIInChI=1S/C15H24N6/c1-3-5-6-7-13-18-15(20(4-2)19-13)12-8-9-21-14(10-12)16-11-17-21/h11-12H,3-10H2,1-2H3
InChIKeyLTGZWGKHHZFXHX-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.35
Rot. Bonds6

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

7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146046343) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID146046343
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCCCc1nc(C2CCn3ncnc3C2)n(CC)n1
InChIInChI=1S/C15H24N6/c1-3-5-6-7-13-18-15(20(4-2)19-13)12-8-9-21-14(10-12)16-11-17-21/h11-12H,3-10H2,1-2H3
InChIKeyLTGZWGKHHZFXHX-UHFFFAOYSA-N
XLogP2.35
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-{4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}ethyl)amine dihydrochloride
CID 72933636
3-Cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134133542
3-Pentyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134153728
8-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 56711732
7-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 137984042
1-methyl-4-{[5-[2-(1H-tetrazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl}piperidine
CID 72877690
1-[[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 137990237
6-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
CID 146039306
7-[3-cyclopentyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
CID 146043200
2',3-dimethyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazole
CID 146046527
6-[3-cyclopentyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
CID 146046595
1-{2-[1-(cyclohexylmethyl)-3-isobutyl-1H-1,2,4-triazol-5-yl]ethyl}-1H-tetrazole
CID 72862211

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 146046343) is 7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CCCCCc1nc(C2CCn3ncnc3C2)n(CC)n1.
What is the InChIKey of 7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LTGZWGKHHZFXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-5-6-7-13-18-15(20(4-2)19-13)12-8-9-21-14(10-12)16-11-17-21/h11-12H,3-10H2,1-2H3.
What are the key properties of 7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 288.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethyl-5-pentyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146046343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).