N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine

C11H9N5 — CID 1040548

IUPACN-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
SMILESc1ccc(Nc2nnc3ncccn23)cc1
InChIInChI=1S/C11H9N5/c1-2-5-9(6-3-1)13-11-15-14-10-12-7-4-8-16(10)11/h1-8H,(H,13,15)
InChIKeyQWMSPZGFURVYOV-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.87
Rot. Bonds2

About N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine

N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine (PubChem CID 1040548) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
PubChem CID1040548
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC NameN-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
SMILESc1ccc(Nc2nnc3ncccn23)cc1
InChIInChI=1S/C11H9N5/c1-2-5-9(6-3-1)13-11-15-14-10-12-7-4-8-16(10)11/h1-8H,(H,13,15)
InChIKeyQWMSPZGFURVYOV-UHFFFAOYSA-N
XLogP1.87
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
The IUPAC name of N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine (CID 1040548) is N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine.
What is the SMILES notation for N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
The canonical SMILES for N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine is c1ccc(Nc2nnc3ncccn23)cc1.
What is the InChIKey of N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
The InChIKey is QWMSPZGFURVYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-2-5-9(6-3-1)13-11-15-14-10-12-7-4-8-16(10)11/h1-8H,(H,13,15).
What are the key properties of N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine has a molecular weight of 211.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine is sourced from PubChem (CID 1040548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).