N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine

C12H12N6 — CID 40532077

IUPACN,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCN(c1ccccc1)c1ncnc2c1nnn2C
InChIInChI=1S/C12H12N6/c1-17(9-6-4-3-5-7-9)11-10-12(14-8-13-11)18(2)16-15-10/h3-8H,1-2H3
InChIKeyJTABKQFAADIMLS-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.53
Rot. Bonds2

About N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine

N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 40532077) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID40532077
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC NameN,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCN(c1ccccc1)c1ncnc2c1nnn2C
InChIInChI=1S/C12H12N6/c1-17(9-6-4-3-5-7-9)11-10-12(14-8-13-11)18(2)16-15-10/h3-8H,1-2H3
InChIKeyJTABKQFAADIMLS-UHFFFAOYSA-N
XLogP1.53
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine (CID 40532077) is N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine is CN(c1ccccc1)c1ncnc2c1nnn2C.
What is the InChIKey of N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is JTABKQFAADIMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-17(9-6-4-3-5-7-9)11-10-12(14-8-13-11)18(2)16-15-10/h3-8H,1-2H3.
What are the key properties of N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine?
N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 240.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 40532077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).