N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine

C14H16N6 — CID 7584496

IUPACN-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(Nc3cccc(C)c3C)ncnc21
InChIInChI=1S/C14H16N6/c1-4-20-14-12(18-19-20)13(15-8-16-14)17-11-7-5-6-9(2)10(11)3/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyXOJOSOWXNFHZPU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.60
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584496) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584496
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(Nc3cccc(C)c3C)ncnc21
InChIInChI=1S/C14H16N6/c1-4-20-14-12(18-19-20)13(15-8-16-14)17-11-7-5-6-9(2)10(11)3/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyXOJOSOWXNFHZPU-UHFFFAOYSA-N
XLogP2.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584508
4-N-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1-N-phenylbenzene-1,4-diamine
CID 7584537
N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584493
3-ethyl-N-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584464
N-(4-bromo-3-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584515
3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584473
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide
CID 7584534
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol
CID 18584564
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7584420

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine (CID 7584496) is N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(Nc3cccc(C)c3C)ncnc21.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is XOJOSOWXNFHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-4-20-14-12(18-19-20)13(15-8-16-14)17-11-7-5-6-9(2)10(11)3/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 268.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).