3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine

C11H16N6 — CID 7424084

IUPAC3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine
SMILESCC1CCN(c2ncnc3c2nnn3C)CC1
InChIInChI=1S/C11H16N6/c1-8-3-5-17(6-4-8)11-9-10(12-7-13-11)16(2)15-14-9/h7-8H,3-6H2,1-2H3
InChIKeyZZVFGULEQPOBJC-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.99
Rot. Bonds1

About 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine

3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine (PubChem CID 7424084) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine
PubChem CID7424084
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine
SMILESCC1CCN(c2ncnc3c2nnn3C)CC1
InChIInChI=1S/C11H16N6/c1-8-3-5-17(6-4-8)11-9-10(12-7-13-11)16(2)15-14-9/h7-8H,3-6H2,1-2H3
InChIKeyZZVFGULEQPOBJC-UHFFFAOYSA-N
XLogP0.99
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(9h-Purin-6-Yl)piperidin-4-Yl]methanamine
CID 11708454
9-(2-Piperidin-1-ylethyl)purin-6-amine
CID 908253
3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7424116
4-(3-methylpiperidin-1-yl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepine
CID 16021245
3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
CID 70684672
6-(4-Methylpiperidin-1-yl)-9H-purine
CID 756692
9H-Purin-6-amine, 9-(cyclopropylmethyl)-N,N-dimethyl-
CID 3075659
3-methyl-7-piperidin-1-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 7424081
n,3-Diethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 237113
ethyl 1-(3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxylate
CID 7424088
9-Hexyl-6-(1,2,4-triazol-1-yl)purine
CID 118709411
9-Heptyl-6-(1,2,4-triazol-1-yl)purine
CID 118709412

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine?
The IUPAC name of 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine (CID 7424084) is 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine is CC1CCN(c2ncnc3c2nnn3C)CC1.
What is the InChIKey of 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine?
The InChIKey is ZZVFGULEQPOBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-3-5-17(6-4-8)11-9-10(12-7-13-11)16(2)15-14-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine?
3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine has a molecular weight of 232.29 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-methylpiperidin-1-yl)triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 7424084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).