5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine

C11H14ClN5 — CID 176688767

IUPAC5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCC1(C)CC(c2nc(Cl)c3cnc(N)nn23)C1
InChIInChI=1S/C11H14ClN5/c1-11(2)3-6(4-11)9-15-8(12)7-5-14-10(13)16-17(7)9/h5-6H,3-4H2,1-2H3,(H2,13,16)
InChIKeyFOHVIUJLAZBFPZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.26
Rot. Bonds1

About 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine

5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 176688767) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID176688767
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCC1(C)CC(c2nc(Cl)c3cnc(N)nn23)C1
InChIInChI=1S/C11H14ClN5/c1-11(2)3-6(4-11)9-15-8(12)7-5-14-10(13)16-17(7)9/h5-6H,3-4H2,1-2H3,(H2,13,16)
InChIKeyFOHVIUJLAZBFPZ-UHFFFAOYSA-N
XLogP2.26
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine (CID 176688767) is 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine is CC1(C)CC(c2nc(Cl)c3cnc(N)nn23)C1.
What is the InChIKey of 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is FOHVIUJLAZBFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-11(2)3-6(4-11)9-15-8(12)7-5-14-10(13)16-17(7)9/h5-6H,3-4H2,1-2H3,(H2,13,16).
What are the key properties of 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine?
5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 176688767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).