1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine

C12H7ClF3N5O — CID 170139998

IUPAC1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESNc1nnc(-c2ccc(Cl)cc2OC(F)(F)F)c2cncn12
InChIInChI=1S/C12H7ClF3N5O/c13-6-1-2-7(9(3-6)22-12(14,15)16)10-8-4-18-5-21(8)11(17)20-19-10/h1-5H,(H2,17,20)
InChIKeyOTPZXSQBDDXIMV-UHFFFAOYSA-N
MW329.67 g/mol
LogP2.93
Rot. Bonds2

About 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine

1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine (PubChem CID 170139998) has the molecular formula C12H7ClF3N5O and a molecular weight of 329.67 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
PubChem CID170139998
Molecular FormulaC12H7ClF3N5O
Molecular Weight329.67 g/mol
Exact Mass329.03
IUPAC Name1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESNc1nnc(-c2ccc(Cl)cc2OC(F)(F)F)c2cncn12
InChIInChI=1S/C12H7ClF3N5O/c13-6-1-2-7(9(3-6)22-12(14,15)16)10-8-4-18-5-21(8)11(17)20-19-10/h1-5H,(H2,17,20)
InChIKeyOTPZXSQBDDXIMV-UHFFFAOYSA-N
XLogP2.93
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The IUPAC name of 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine (CID 170139998) is 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine is Nc1nnc(-c2ccc(Cl)cc2OC(F)(F)F)c2cncn12.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The InChIKey is OTPZXSQBDDXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N5O/c13-6-1-2-7(9(3-6)22-12(14,15)16)10-8-4-18-5-21(8)11(17)20-19-10/h1-5H,(H2,17,20).
What are the key properties of 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine has a molecular weight of 329.67 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine is sourced from PubChem (CID 170139998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).