4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine

C16H20N8 — CID 66498881

IUPAC4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine
SMILESCc1nc2nnc(-c3ccnc(N4CCC(C)CC4)n3)c(C)n2n1
InChIInChI=1S/C16H20N8/c1-10-5-8-23(9-6-10)15-17-7-4-13(19-15)14-11(2)24-16(21-20-14)18-12(3)22-24/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyYKXKGITZVJTUFM-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.83
Rot. Bonds2

About 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine

4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine (PubChem CID 66498881) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine.

Molecular Properties

Compound Name4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine
PubChem CID66498881
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine
SMILESCc1nc2nnc(-c3ccnc(N4CCC(C)CC4)n3)c(C)n2n1
InChIInChI=1S/C16H20N8/c1-10-5-8-23(9-6-10)15-17-7-4-13(19-15)14-11(2)24-16(21-20-14)18-12(3)22-24/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyYKXKGITZVJTUFM-UHFFFAOYSA-N
XLogP1.83
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,7-dimethyl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499235
3-[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499272
3-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]-4-methyl-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499036
3-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]-4-methyl-7-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499104
7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50741291
7-(furan-2-yl)-4-methyl-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499540
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499065
2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine
CID 56691173
3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66498872
6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50741270
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
3-[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]pyrimidin-4-yl]-4-methyl-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499068

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
The IUPAC name of 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine (CID 66498881) is 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine.
What is the SMILES notation for 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
The canonical SMILES for 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine is Cc1nc2nnc(-c3ccnc(N4CCC(C)CC4)n3)c(C)n2n1.
What is the InChIKey of 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
The InChIKey is YKXKGITZVJTUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-10-5-8-23(9-6-10)15-17-7-4-13(19-15)14-11(2)24-16(21-20-14)18-12(3)22-24/h4,7,10H,5-6,8-9H2,1-3H3.
What are the key properties of 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine has a molecular weight of 324.39 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 66498881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).