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

C16H12N6 — CID 11601694

IUPACN,3-diphenyltriazolo[4,5-d]pyrimidin-5-amine
SMILESc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C16H12N6/c1-3-7-12(8-4-1)18-16-17-11-14-15(19-16)22(21-20-14)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyQVWXPISCAWQJJE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.95
Rot. Bonds3

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

N,3-diphenyltriazolo[4,5-d]pyrimidin-5-amine (PubChem CID 11601694) 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-5-amine.

Molecular Properties

Compound NameN,3-diphenyltriazolo[4,5-d]pyrimidin-5-amine
PubChem CID11601694
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC NameN,3-diphenyltriazolo[4,5-d]pyrimidin-5-amine
SMILESc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C16H12N6/c1-3-7-12(8-4-1)18-16-17-11-14-15(19-16)22(21-20-14)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyQVWXPISCAWQJJE-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-5-amine?
The IUPAC name of N,3-diphenyltriazolo[4,5-d]pyrimidin-5-amine (CID 11601694) is N,3-diphenyltriazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for N,3-diphenyltriazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for N,3-diphenyltriazolo[4,5-d]pyrimidin-5-amine is c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of N,3-diphenyltriazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is QVWXPISCAWQJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-3-7-12(8-4-1)18-16-17-11-14-15(19-16)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-5-amine?
N,3-diphenyltriazolo[4,5-d]pyrimidin-5-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-5-amine is sourced from PubChem (CID 11601694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).