3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C10H8N6 — CID 121412556

IUPAC3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1nccc2nnc(-c3ccncc3)n12
InChIInChI=1S/C10H8N6/c11-10-13-6-3-8-14-15-9(16(8)10)7-1-4-12-5-2-7/h1-6H,(H2,11,13)
InChIKeyAZRSBQIUPGDLMV-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.77
Rot. Bonds1

About 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 121412556) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID121412556
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1nccc2nnc(-c3ccncc3)n12
InChIInChI=1S/C10H8N6/c11-10-13-6-3-8-14-15-9(16(8)10)7-1-4-12-5-2-7/h1-6H,(H2,11,13)
InChIKeyAZRSBQIUPGDLMV-UHFFFAOYSA-N
XLogP0.77
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 121412556) is 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Nc1nccc2nnc(-c3ccncc3)n12.
What is the InChIKey of 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is AZRSBQIUPGDLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c11-10-13-6-3-8-14-15-9(16(8)10)7-1-4-12-5-2-7/h1-6H,(H2,11,13).
What are the key properties of 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 212.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 121412556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).