7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C13H11Cl2N5O — CID 6933812

IUPAC7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESC[C@@H](Oc1c(Cl)cccc1Cl)c1ccnc2nc(N)nn12
InChIInChI=1S/C13H11Cl2N5O/c1-7(21-11-8(14)3-2-4-9(11)15)10-5-6-17-13-18-12(16)19-20(10)13/h2-7H,1H3,(H2,16,19)/t7-/m1/s1
InChIKeyBZOGUTPVKPQHHA-SSDOTTSWSA-N
MW324.17 g/mol
LogP3.15
Rot. Bonds3

About 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 6933812) has the molecular formula C13H11Cl2N5O and a molecular weight of 324.17 g/mol. Its IUPAC name is 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID6933812
Molecular FormulaC13H11Cl2N5O
Molecular Weight324.17 g/mol
Exact Mass323.03
IUPAC Name7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESC[C@@H](Oc1c(Cl)cccc1Cl)c1ccnc2nc(N)nn12
InChIInChI=1S/C13H11Cl2N5O/c1-7(21-11-8(14)3-2-4-9(11)15)10-5-6-17-13-18-12(16)19-20(10)13/h2-7H,1H3,(H2,16,19)/t7-/m1/s1
InChIKeyBZOGUTPVKPQHHA-SSDOTTSWSA-N
XLogP3.15
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 6933812) is 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is C[C@@H](Oc1c(Cl)cccc1Cl)c1ccnc2nc(N)nn12.
What is the InChIKey of 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BZOGUTPVKPQHHA-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H11Cl2N5O/c1-7(21-11-8(14)3-2-4-9(11)15)10-5-6-17-13-18-12(16)19-20(10)13/h2-7H,1H3,(H2,16,19)/t7-/m1/s1.
What are the key properties of 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 324.17 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 6933812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).