3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine

C14H16N6O — CID 7584420

IUPAC3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NCc3ccc(OC)cc3)ncnc21
InChIInChI=1S/C14H16N6O/c1-3-20-14-12(18-19-20)13(16-9-17-14)15-8-10-4-6-11(21-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyONCSRLFNELMGSO-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.86
Rot. Bonds5

About 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine

3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584420) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584420
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NCc3ccc(OC)cc3)ncnc21
InChIInChI=1S/C14H16N6O/c1-3-20-14-12(18-19-20)13(16-9-17-14)15-8-10-4-6-11(21-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyONCSRLFNELMGSO-UHFFFAOYSA-N
XLogP1.86
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584473
N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424163
7-chloro-3-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidine
CID 11558158
N-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine
CID 20910322
3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 40532076
3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine
CID 114222411
N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584496
6-chloro-5-(2-chloroethyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118129224
N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide
CID 7584534
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
CID 121398032
9-[(4R,6R,6aS)-6-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 71037287
ethyl 5-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxylate
CID 78358134

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 7584420) is 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(NCc3ccc(OC)cc3)ncnc21.
What is the InChIKey of 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ONCSRLFNELMGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-3-20-14-12(18-19-20)13(16-9-17-14)15-8-10-4-6-11(21-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 284.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).