5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine

C10H8N6 — CID 67266146

IUPAC5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccccc2)nc2n[nH]nc12
InChIInChI=1S/C10H8N6/c11-8-7-10(15-16-14-7)13-9(12-8)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13,14,15,16)
InChIKeyNMKCPHBUSXRAIU-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.00
Rot. Bonds1

About 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine

5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 67266146) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine
PubChem CID67266146
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccccc2)nc2n[nH]nc12
InChIInChI=1S/C10H8N6/c11-8-7-10(15-16-14-7)13-9(12-8)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13,14,15,16)
InChIKeyNMKCPHBUSXRAIU-UHFFFAOYSA-N
XLogP1.00
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-diphenylpteridin-4-amine
CID 15313166
5-benzylsulfanyl-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 50993061
2H-triazolo[4,5-c]isoquinolin-5-amine
CID 175853907
1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 72510858
2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 155543719
4-amino-6-methyl-2-phenyl-8H-pteridin-7-one
CID 125495567
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 66613971
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
CID 104846735
9-methyl-2-phenylpurin-6-amine
CID 121009217
7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676489
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine (CID 67266146) is 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(-c2ccccc2)nc2n[nH]nc12.
What is the InChIKey of 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is NMKCPHBUSXRAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c11-8-7-10(15-16-14-7)13-9(12-8)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13,14,15,16).
What are the key properties of 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine?
5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 212.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 67266146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).