3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine

C8H12N6 — CID 7584297

IUPAC3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(N(C)C)ncnc21
InChIInChI=1S/C8H12N6/c1-4-14-8-6(11-12-14)7(13(2)3)9-5-10-8/h5H,4H2,1-3H3
InChIKeyAZDJFVYJBHDTRO-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.31
Rot. Bonds2

About 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine

3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584297) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584297
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(N(C)C)ncnc21
InChIInChI=1S/C8H12N6/c1-4-14-8-6(11-12-14)7(13(2)3)9-5-10-8/h5H,4H2,1-3H3
InChIKeyAZDJFVYJBHDTRO-UHFFFAOYSA-N
XLogP0.31
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine (CID 7584297) is 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(N(C)C)ncnc21.
What is the InChIKey of 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is AZDJFVYJBHDTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-4-14-8-6(11-12-14)7(13(2)3)9-5-10-8/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine?
3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 192.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).