2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine

C5H4ClN5 — CID 84717352

IUPAC2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2nc(Cl)nn2c1
InChIInChI=1S/C5H4ClN5/c6-4-9-5-8-1-3(7)2-11(5)10-4/h1-2H,7H2
InChIKeyRNYAPXDVOPPNNN-UHFFFAOYSA-N
MW169.58 g/mol
LogP0.36
Rot. Bonds

About 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine

2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine (PubChem CID 84717352) has the molecular formula C5H4ClN5 and a molecular weight of 169.58 g/mol. Its IUPAC name is 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
PubChem CID84717352
Molecular FormulaC5H4ClN5
Molecular Weight169.58 g/mol
Exact Mass169.02
IUPAC Name2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2nc(Cl)nn2c1
InChIInChI=1S/C5H4ClN5/c6-4-9-5-8-1-3(7)2-11(5)10-4/h1-2H,7H2
InChIKeyRNYAPXDVOPPNNN-UHFFFAOYSA-N
XLogP0.36
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine (CID 84717352) is 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine is Nc1cnc2nc(Cl)nn2c1.
What is the InChIKey of 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is RNYAPXDVOPPNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5/c6-4-9-5-8-1-3(7)2-11(5)10-4/h1-2H,7H2.
What are the key properties of 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 169.58 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 84717352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).