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

C16H26N6 — CID 158002605

IUPAC2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nc2n(n1)CCCC2C.Cc1nnc2n1CCCC2C
InChIInChI=1S/2C8H13N3/c1-6-4-3-5-11-7(2)9-10-8(6)11;1-6-4-3-5-11-8(6)9-7(2)10-11/h2*6H,3-5H2,1-2H3
InChIKeyFDXITLOAMNLYDB-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.97
Rot. Bonds

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

2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158002605) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158002605
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nc2n(n1)CCCC2C.Cc1nnc2n1CCCC2C
InChIInChI=1S/2C8H13N3/c1-6-4-3-5-11-7(2)9-10-8(6)11;1-6-4-3-5-11-8(6)9-7(2)10-11/h2*6H,3-5H2,1-2H3
InChIKeyFDXITLOAMNLYDB-UHFFFAOYSA-N
XLogP2.97
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-Cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134133542
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
4-(2,3-Dimethylbutyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;6-propan-2-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 177136530
8-Methyl-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66634556
7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95813205
6-Methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149003
8-Methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117153035
6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134224563
3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134402295
6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 139513767
2,8-Dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;ethane
CID 145678756
1-Ethyl-3-[5-[2-(2-methylpropyl)-5-propan-2-yl-1,2,4-triazol-3-yl]hexan-2-yl]-5-propan-2-yl-1,2,4-triazole
CID 156061033

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 158002605) is 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1nc2n(n1)CCCC2C.Cc1nnc2n1CCCC2C.
What is the InChIKey of 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FDXITLOAMNLYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N3/c1-6-4-3-5-11-7(2)9-10-8(6)11;1-6-4-3-5-11-8(6)9-7(2)10-11/h2*6H,3-5H2,1-2H3.
What are the key properties of 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 302.43 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158002605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).