3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine

C14H16N6 — CID 7584273

IUPAC3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1cc(C)c(Nc2ncnc3c2nnn3C)c(C)c1
InChIInChI=1S/C14H16N6/c1-8-5-9(2)11(10(3)6-8)17-13-12-14(16-7-15-13)20(4)19-18-12/h5-7H,1-4H3,(H,15,16,17)
InChIKeyYOKFACHONDYWDY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.43
Rot. Bonds2

About 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine

3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584273) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584273
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1cc(C)c(Nc2ncnc3c2nnn3C)c(C)c1
InChIInChI=1S/C14H16N6/c1-8-5-9(2)11(10(3)6-8)17-13-12-14(16-7-15-13)20(4)19-18-12/h5-7H,1-4H3,(H,15,16,17)
InChIKeyYOKFACHONDYWDY-UHFFFAOYSA-N
XLogP2.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688242
N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110875096
1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
CID 83833760
N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7659050
3-methyl-N-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7659052
3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 40532076
N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688219
N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide
CID 7584287
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7424134
1-(4-chlorophenyl)-N-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4082477
N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688192
N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (CID 7584273) is 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is Cc1cc(C)c(Nc2ncnc3c2nnn3C)c(C)c1.
What is the InChIKey of 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is YOKFACHONDYWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-8-5-9(2)11(10(3)6-8)17-13-12-14(16-7-15-13)20(4)19-18-12/h5-7H,1-4H3,(H,15,16,17).
What are the key properties of 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 268.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).