N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine

C19H26N6O — CID 10831985

IUPACN-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(COC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C
InChIInChI=1S/C19H26N6O/c1-7-15(10-26-6)22-18-16-19(21-14(5)20-18)25(24-23-16)17-12(3)8-11(2)9-13(17)4/h8-9,15H,7,10H2,1-6H3,(H,20,21,22)
InChIKeyNCQJZAUUDASTMD-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.28
Rot. Bonds6

About N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine

N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 10831985) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID10831985
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(COC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C
InChIInChI=1S/C19H26N6O/c1-7-15(10-26-6)22-18-16-19(21-14(5)20-18)25(24-23-16)17-12(3)8-11(2)9-13(17)4/h8-9,15H,7,10H2,1-6H3,(H,20,21,22)
InChIKeyNCQJZAUUDASTMD-UHFFFAOYSA-N
XLogP3.28
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine (CID 10831985) is N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is CCC(COC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C.
What is the InChIKey of N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is NCQJZAUUDASTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-7-15(10-26-6)22-18-16-19(21-14(5)20-18)25(24-23-16)17-12(3)8-11(2)9-13(17)4/h8-9,15H,7,10H2,1-6H3,(H,20,21,22).
What are the key properties of N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine?
N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 354.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 10831985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).