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

C19H26N6 — CID 10593122

IUPAC5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(CC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C
InChIInChI=1S/C19H26N6/c1-7-15(8-2)22-18-16-19(21-14(6)20-18)25(24-23-16)17-12(4)9-11(3)10-13(17)5/h9-10,15H,7-8H2,1-6H3,(H,20,21,22)
InChIKeyKINWKEYFDKNBQH-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.04
Rot. Bonds5

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

5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 10593122) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID10593122
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(CC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C
InChIInChI=1S/C19H26N6/c1-7-15(8-2)22-18-16-19(21-14(6)20-18)25(24-23-16)17-12(4)9-11(3)10-13(17)5/h9-10,15H,7-8H2,1-6H3,(H,20,21,22)
InChIKeyKINWKEYFDKNBQH-UHFFFAOYSA-N
XLogP4.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (CID 10593122) is 5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is CCC(CC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C.
What is the InChIKey of 5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KINWKEYFDKNBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-7-15(8-2)22-18-16-19(21-14(6)20-18)25(24-23-16)17-12(4)9-11(3)10-13(17)5/h9-10,15H,7-8H2,1-6H3,(H,20,21,22).
What are the key properties of 5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 338.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 10593122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).