N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine

C13H14N6O — CID 7659050

IUPACN-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCOc1ccccc1Nc1ncnc2c1nnn2C
InChIInChI=1S/C13H14N6O/c1-3-20-10-7-5-4-6-9(10)16-12-11-13(15-8-14-12)19(2)18-17-11/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyFBVSTXANGRFNMJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.90
Rot. Bonds4

About N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine

N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7659050) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7659050
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCOc1ccccc1Nc1ncnc2c1nnn2C
InChIInChI=1S/C13H14N6O/c1-3-20-10-7-5-4-6-9(10)16-12-11-13(15-8-14-12)19(2)18-17-11/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyFBVSTXANGRFNMJ-UHFFFAOYSA-N
XLogP1.90
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144132
6-(benzotriazol-1-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19154249
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
4-N-(2-ethoxyphenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487241
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine
CID 20934834
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
4-N-(2,3-dimethylphenyl)-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23495368
N-(2-ethoxyphenyl)-7-methoxyquinazolin-4-amine
CID 110434377
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19147525

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 7659050) is N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine is CCOc1ccccc1Nc1ncnc2c1nnn2C.
What is the InChIKey of N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FBVSTXANGRFNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-3-20-10-7-5-4-6-9(10)16-12-11-13(15-8-14-12)19(2)18-17-11/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 270.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7659050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).