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

C16H12N6 — CID 12587858

IUPACN,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(Nc2ncnc3c2nnn3-c2ccccc2)cc1
InChIInChI=1S/C16H12N6/c1-3-7-12(8-4-1)19-15-14-16(18-11-17-15)22(21-20-14)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyPAKQMYXPVINYPA-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.95
Rot. Bonds3

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

N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 12587858) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID12587858
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC NameN,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(Nc2ncnc3c2nnn3-c2ccccc2)cc1
InChIInChI=1S/C16H12N6/c1-3-7-12(8-4-1)19-15-14-16(18-11-17-15)22(21-20-14)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyPAKQMYXPVINYPA-UHFFFAOYSA-N
XLogP2.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine (CID 12587858) is N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine is c1ccc(Nc2ncnc3c2nnn3-c2ccccc2)cc1.
What is the InChIKey of N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is PAKQMYXPVINYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-3-7-12(8-4-1)19-15-14-16(18-11-17-15)22(21-20-14)13-9-5-2-6-10-13/h1-11H,(H,17,18,19).
What are the key properties of N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine?
N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 288.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 12587858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).