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

C12H18N6 — CID 146046563

IUPAC7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc(C2CCn3ncnc3C2)n(CC)n1
InChIInChI=1S/C12H18N6/c1-3-10-15-12(17(4-2)16-10)9-5-6-18-11(7-9)13-8-14-18/h8-9H,3-7H2,1-2H3
InChIKeyIEDBAMKSEFIGBV-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.18
Rot. Bonds3

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

7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146046563) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID146046563
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc(C2CCn3ncnc3C2)n(CC)n1
InChIInChI=1S/C12H18N6/c1-3-10-15-12(17(4-2)16-10)9-5-6-18-11(7-9)13-8-14-18/h8-9H,3-7H2,1-2H3
InChIKeyIEDBAMKSEFIGBV-UHFFFAOYSA-N
XLogP1.18
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134147161
(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
1-butyl-3-cyclopropyl-5-[3-(1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,4-triazole
CID 72917669
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

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 146046563) is 7-(2,5-diethyl-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-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc(C2CCn3ncnc3C2)n(CC)n1.
What is the InChIKey of 7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IEDBAMKSEFIGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-10-15-12(17(4-2)16-10)9-5-6-18-11(7-9)13-8-14-18/h8-9H,3-7H2,1-2H3.
What are the key properties of 7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 246.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146046563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).