(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine

C11H10N6 — CID 103317716

IUPAC(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCc1ccnc2nc(-c3cccnc3)nn12
InChIInChI=1S/C11H10N6/c12-6-9-3-5-14-11-15-10(16-17(9)11)8-2-1-4-13-7-8/h1-5,7H,6,12H2
InChIKeyKGXLPFSOCUYLEC-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.64
Rot. Bonds2

About (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine

(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine (PubChem CID 103317716) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine.

Molecular Properties

Compound Name(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
PubChem CID103317716
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCc1ccnc2nc(-c3cccnc3)nn12
InChIInChI=1S/C11H10N6/c12-6-9-3-5-14-11-15-10(16-17(9)11)8-2-1-4-13-7-8/h1-5,7H,6,12H2
InChIKeyKGXLPFSOCUYLEC-UHFFFAOYSA-N
XLogP0.64
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine?
The IUPAC name of (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine (CID 103317716) is (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine.
What is the SMILES notation for (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine?
The canonical SMILES for (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine is NCc1ccnc2nc(-c3cccnc3)nn12.
What is the InChIKey of (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine?
The InChIKey is KGXLPFSOCUYLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-6-9-3-5-14-11-15-10(16-17(9)11)8-2-1-4-13-7-8/h1-5,7H,6,12H2.
What are the key properties of (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine?
(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine has a molecular weight of 226.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine is sourced from PubChem (CID 103317716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).